4-[(1R,4R,6S)-6-amino-2-azabicyclo[2.2.1]heptan-2-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2R,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-N-[[(2R)-2-aminocyclobutyl]methyl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-4-N-ethyl-6-fluoro-8-N-methyl-9H-indeno[2,1-d]pyrimidine-4,8-diamine

C125H134F5N35O5 — CID 158387676

IUPAC4-[(1R,4R,6S)-6-amino-2-azabicyclo[2.2.1]heptan-2-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2R,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-N-[[(2R)-2-aminocyclobutyl]methyl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-4-N-ethyl-6-fluoro-8-N-methyl-9H-indeno[2,1-d]pyrimidine-4,8-diamine
SMILESCCN(CC1CC[C@H]1N)c1nc(Oc2cnc(C3CC3)nc2)nc2c1-c1cc(F)cc(NC)c1C2.CCc1ncc(Oc2nc3c(c(N4C[C@H](N)C5(CC5)C4)n2)-c2cc(F)cc(NC)c2C3)cn1.CNc1cc(F)cc2c1Cc1nc(Oc3cnc(C4CC4)nc3)nc(N3CC4C[C@@H](N)C4C3)c1-2.CNc1cc(F)cc2c1Cc1nc(Oc3cnc(C4CC4)nc3)nc(N3CC[C@@]4(C[C@H]4N)C3)c1-2.CNc1cc(F)cc2c1Cc1nc(Oc3cnc(C4CC4)nc3)nc(N3C[C@H]4C[C@@H]3[C@@H](N)C4)c1-2
InChIInChI=1S/C26H30FN7O.3C25H26FN7O.C24H26FN7O/c1-3-34(13-15-6-7-20(15)28)25-23-19-8-16(27)9-21(29-2)18(19)10-22(23)32-26(33-25)35-17-11-30-24(31-12-17)14-4-5-14;1-28-19-7-14(26)6-17-16(19)8-20-22(17)24(33-11-12-4-18(27)21(33)5-12)32-25(31-20)34-15-9-29-23(30-10-15)13-2-3-13;1-28-20-6-14(26)5-17-16(20)7-21-22(17)24(33-10-13-4-19(27)18(13)11-33)32-25(31-21)34-15-8-29-23(30-9-15)12-2-3-12;1-28-18-7-14(26)6-17-16(18)8-19-21(17)23(33-5-4-25(12-33)9-20(25)27)32-24(31-19)34-15-10-29-22(30-11-15)13-2-3-13;1-3-20-28-9-14(10-29-20)33-23-30-18-8-15-16(6-13(25)7-17(15)27-2)21(18)22(31-23)32-11-19(26)24(12-32)4-5-24/h8-9,11-12,14-15,20,29H,3-7,10,13,28H2,1-2H3;6-7,9-10,12-13,18,21,28H,2-5,8,11,27H2,1H3;5-6,8-9,12-13,18-19,28H,2-4,7,10-11,27H2,1H3;6-7,10-11,13,20,28H,2-5,8-9,12,27H2,1H3;6-7,9-10,19,27H,3-5,8,11-12,26H2,1-2H3/t15?,20-;12-,18+,21-;13?,18?,19-;20-,25-;19-/m11110/s1
InChIKeyGWOFQBVDRWGTOD-ODFKJSOUSA-N
MW2301.68 g/mol
LogP18.25
Rot. Bonds28

About 4-[(1R,4R,6S)-6-amino-2-azabicyclo[2.2.1]heptan-2-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2R,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-N-[[(2R)-2-aminocyclobutyl]methyl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-4-N-ethyl-6-fluoro-8-N-methyl-9H-indeno[2,1-d]pyrimidine-4,8-diamine

4-[(1R,4R,6S)-6-amino-2-azabicyclo[2.2.1]heptan-2-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2R,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-N-[[(2R)-2-aminocyclobutyl]methyl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-4-N-ethyl-6-fluoro-8-N-methyl-9H-indeno[2,1-d]pyrimidine-4,8-diamine (PubChem CID 158387676) has the molecular formula C125H134F5N35O5 and a molecular weight of 2301.68 g/mol. Its IUPAC name is 4-[(1R,4R,6S)-6-amino-2-azabicyclo[2.2.1]heptan-2-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2R,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-N-[[(2R)-2-aminocyclobutyl]methyl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-4-N-ethyl-6-fluoro-8-N-methyl-9H-indeno[2,1-d]pyrimidine-4,8-diamine.

Molecular Properties

Compound Name4-[(1R,4R,6S)-6-amino-2-azabicyclo[2.2.1]heptan-2-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2R,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-N-[[(2R)-2-aminocyclobutyl]methyl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-4-N-ethyl-6-fluoro-8-N-methyl-9H-indeno[2,1-d]pyrimidine-4,8-diamine
PubChem CID158387676
Molecular FormulaC125H134F5N35O5
Molecular Weight2301.68 g/mol
Exact Mass2300.12
IUPAC Name4-[(1R,4R,6S)-6-amino-2-azabicyclo[2.2.1]heptan-2-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2R,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-N-[[(2R)-2-aminocyclobutyl]methyl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-4-N-ethyl-6-fluoro-8-N-methyl-9H-indeno[2,1-d]pyrimidine-4,8-diamine
SMILESCCN(CC1CC[C@H]1N)c1nc(Oc2cnc(C3CC3)nc2)nc2c1-c1cc(F)cc(NC)c1C2.CCc1ncc(Oc2nc3c(c(N4C[C@H](N)C5(CC5)C4)n2)-c2cc(F)cc(NC)c2C3)cn1.CNc1cc(F)cc2c1Cc1nc(Oc3cnc(C4CC4)nc3)nc(N3CC4C[C@@H](N)C4C3)c1-2.CNc1cc(F)cc2c1Cc1nc(Oc3cnc(C4CC4)nc3)nc(N3CC[C@@]4(C[C@H]4N)C3)c1-2.CNc1cc(F)cc2c1Cc1nc(Oc3cnc(C4CC4)nc3)nc(N3C[C@H]4C[C@@H]3[C@@H](N)C4)c1-2
InChIInChI=1S/C26H30FN7O.3C25H26FN7O.C24H26FN7O/c1-3-34(13-15-6-7-20(15)28)25-23-19-8-16(27)9-21(29-2)18(19)10-22(23)32-26(33-25)35-17-11-30-24(31-12-17)14-4-5-14;1-28-19-7-14(26)6-17-16(19)8-20-22(17)24(33-11-12-4-18(27)21(33)5-12)32-25(31-20)34-15-9-29-23(30-10-15)13-2-3-13;1-28-20-6-14(26)5-17-16(20)7-21-22(17)24(33-10-13-4-19(27)18(13)11-33)32-25(31-21)34-15-8-29-23(30-9-15)12-2-3-12;1-28-18-7-14(26)6-17-16(18)8-19-21(17)23(33-5-4-25(12-33)9-20(25)27)32-24(31-19)34-15-10-29-22(30-11-15)13-2-3-13;1-3-20-28-9-14(10-29-20)33-23-30-18-8-15-16(6-13(25)7-17(15)27-2)21(18)22(31-23)32-11-19(26)24(12-32)4-5-24/h8-9,11-12,14-15,20,29H,3-7,10,13,28H2,1-2H3;6-7,9-10,12-13,18,21,28H,2-5,8,11,27H2,1H3;5-6,8-9,12-13,18-19,28H,2-4,7,10-11,27H2,1H3;6-7,10-11,13,20,28H,2-5,8-9,12,27H2,1H3;6-7,9-10,19,27H,3-5,8,11-12,26H2,1-2H3/t15?,20-;12-,18+,21-;13?,18?,19-;20-,25-;19-/m11110/s1
InChIKeyGWOFQBVDRWGTOD-ODFKJSOUSA-N
XLogP18.25
TPSA510.40 Ų
H-Bond Donors10
H-Bond Acceptors40
Rotatable Bonds28
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002301.68
LogP ≤ 518.25
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1040

Analyze 4-[(1R,4R,6S)-6-amino-2-azabicyclo[2.2.1]heptan-2-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2R,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-N-[[(2R)-2-aminocyclobutyl]methyl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-4-N-ethyl-6-fluoro-8-N-methyl-9H-indeno[2,1-d]pyrimidine-4,8-diamine with MolForge

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Launch Full Analysis

Related Compounds

4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;2-[5-[[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-8-(methylamino)-9H-indeno[2,1-d]pyrimidin-2-yl]oxy]pyrimidin-2-yl]-N-methoxy-N-methylacetamide;2-[5-[[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-8-(methylamino)-9H-indeno[2,1-d]pyrimidin-2-yl]oxy]pyrimidin-2-yl]-1-morpholin-4-ylethanone
CID 160526851
4-[(1S,4S,6R)-6-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-N-methyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-N-methyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-pyridazin-4-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-N-methyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-N-methyl-2-[2-(4-prop-1-en-2-ylpiperazin-1-yl)pyrimidin-5-yl]oxy-9H-indeno[2,1-d]pyrimidin-8-amine
CID 157168870
4-[(7R)-7-amino-2-azaspiro[3.3]heptan-2-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine
CID 158332234
4-[(2R,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-(1,5-naphthyridin-3-yloxy)-9H-indeno[2,1-d]pyrimidin-8-amine
CID 162019809
4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-2-(1H-imidazo[4,5-b]pyridin-6-yloxy)-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine
CID 161128310
4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-[[6-(aminomethyl)-3-pyridinyl]oxy]-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine
CID 158332232
4-(2-amino-5-azaspiro[2.4]heptan-5-yl)-6-fluoro-N-methyl-2-[(5-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine
CID 158500751
4-[(1S,5S)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine
CID 159700850
4-(4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine
CID 159051487
4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(1-cyclopropylpyrrolo[2,3-b]pyridin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine
CID 159749933
1-[5-[[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-8-(methylamino)-9H-indeno[2,1-d]pyrimidin-2-yl]oxy]pyrimidin-2-yl]pyrrolidin-2-one
CID 158221828
4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine
CID 159611744

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,4R,6S)-6-amino-2-azabicyclo[2.2.1]heptan-2-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2R,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-N-[[(2R)-2-aminocyclobutyl]methyl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-4-N-ethyl-6-fluoro-8-N-methyl-9H-indeno[2,1-d]pyrimidine-4,8-diamine?
The IUPAC name of 4-[(1R,4R,6S)-6-amino-2-azabicyclo[2.2.1]heptan-2-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2R,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-N-[[(2R)-2-aminocyclobutyl]methyl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-4-N-ethyl-6-fluoro-8-N-methyl-9H-indeno[2,1-d]pyrimidine-4,8-diamine (CID 158387676) is 4-[(1R,4R,6S)-6-amino-2-azabicyclo[2.2.1]heptan-2-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2R,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-N-[[(2R)-2-aminocyclobutyl]methyl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-4-N-ethyl-6-fluoro-8-N-methyl-9H-indeno[2,1-d]pyrimidine-4,8-diamine.
What is the SMILES notation for 4-[(1R,4R,6S)-6-amino-2-azabicyclo[2.2.1]heptan-2-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2R,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-N-[[(2R)-2-aminocyclobutyl]methyl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-4-N-ethyl-6-fluoro-8-N-methyl-9H-indeno[2,1-d]pyrimidine-4,8-diamine?
The canonical SMILES for 4-[(1R,4R,6S)-6-amino-2-azabicyclo[2.2.1]heptan-2-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2R,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-N-[[(2R)-2-aminocyclobutyl]methyl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-4-N-ethyl-6-fluoro-8-N-methyl-9H-indeno[2,1-d]pyrimidine-4,8-diamine is CCN(CC1CC[C@H]1N)c1nc(Oc2cnc(C3CC3)nc2)nc2c1-c1cc(F)cc(NC)c1C2.CCc1ncc(Oc2nc3c(c(N4C[C@H](N)C5(CC5)C4)n2)-c2cc(F)cc(NC)c2C3)cn1.CNc1cc(F)cc2c1Cc1nc(Oc3cnc(C4CC4)nc3)nc(N3CC4C[C@@H](N)C4C3)c1-2.CNc1cc(F)cc2c1Cc1nc(Oc3cnc(C4CC4)nc3)nc(N3CC[C@@]4(C[C@H]4N)C3)c1-2.CNc1cc(F)cc2c1Cc1nc(Oc3cnc(C4CC4)nc3)nc(N3C[C@H]4C[C@@H]3[C@@H](N)C4)c1-2.
What is the InChIKey of 4-[(1R,4R,6S)-6-amino-2-azabicyclo[2.2.1]heptan-2-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2R,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-N-[[(2R)-2-aminocyclobutyl]methyl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-4-N-ethyl-6-fluoro-8-N-methyl-9H-indeno[2,1-d]pyrimidine-4,8-diamine?
The InChIKey is GWOFQBVDRWGTOD-ODFKJSOUSA-N. The full InChI is InChI=1S/C26H30FN7O.3C25H26FN7O.C24H26FN7O/c1-3-34(13-15-6-7-20(15)28)25-23-19-8-16(27)9-21(29-2)18(19)10-22(23)32-26(33-25)35-17-11-30-24(31-12-17)14-4-5-14;1-28-19-7-14(26)6-17-16(19)8-20-22(17)24(33-11-12-4-18(27)21(33)5-12)32-25(31-20)34-15-9-29-23(30-10-15)13-2-3-13;1-28-20-6-14(26)5-17-16(20)7-21-22(17)24(33-10-13-4-19(27)18(13)11-33)32-25(31-21)34-15-8-29-23(30-9-15)12-2-3-12;1-28-18-7-14(26)6-17-16(18)8-19-21(17)23(33-5-4-25(12-33)9-20(25)27)32-24(31-19)34-15-10-29-22(30-11-15)13-2-3-13;1-3-20-28-9-14(10-29-20)33-23-30-18-8-15-16(6-13(25)7-17(15)27-2)21(18)22(31-23)32-11-19(26)24(12-32)4-5-24/h8-9,11-12,14-15,20,29H,3-7,10,13,28H2,1-2H3;6-7,9-10,12-13,18,21,28H,2-5,8,11,27H2,1H3;5-6,8-9,12-13,18-19,28H,2-4,7,10-11,27H2,1H3;6-7,10-11,13,20,28H,2-5,8-9,12,27H2,1H3;6-7,9-10,19,27H,3-5,8,11-12,26H2,1-2H3/t15?,20-;12-,18+,21-;13?,18?,19-;20-,25-;19-/m11110/s1.
What are the key properties of 4-[(1R,4R,6S)-6-amino-2-azabicyclo[2.2.1]heptan-2-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2R,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-N-[[(2R)-2-aminocyclobutyl]methyl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-4-N-ethyl-6-fluoro-8-N-methyl-9H-indeno[2,1-d]pyrimidine-4,8-diamine?
4-[(1R,4R,6S)-6-amino-2-azabicyclo[2.2.1]heptan-2-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2R,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-N-[[(2R)-2-aminocyclobutyl]methyl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-4-N-ethyl-6-fluoro-8-N-methyl-9H-indeno[2,1-d]pyrimidine-4,8-diamine has a molecular weight of 2301.68 g/mol, XLogP of 18.25, 28 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,4R,6S)-6-amino-2-azabicyclo[2.2.1]heptan-2-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2R,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-N-[[(2R)-2-aminocyclobutyl]methyl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-4-N-ethyl-6-fluoro-8-N-methyl-9H-indeno[2,1-d]pyrimidine-4,8-diamine is sourced from PubChem (CID 158387676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).