4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(3-fluorophenoxy)-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3R)-3-amino-4-fluoropyrrolidin-1-yl]-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine

C91H94F2N24O4 — CID 159009104

IUPAC4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(3-fluorophenoxy)-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3R)-3-amino-4-fluoropyrrolidin-1-yl]-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine
SMILESCNc1cccc2c1Cc1nc(Oc3cccc(F)c3)nc(N3C[C@H](N)C4(CC4)C3)c1-2.CNc1cccc2c1Cc1nc(Oc3cccnc3)nc(N3CC(F)[C@H](N)C3)c1-2.CNc1cccc2c1Cc1nc(Oc3cccnc3)nc(N3CC4CNCC4C3)c1-2.CNc1cccc2c1Cc1nc(Oc3cnc(C)nc3)nc(N3C[C@@H](N)C4(CC4)C3)c1-2
InChIInChI=1S/C24H24FN5O.C23H25N7O.C23H24N6O.C21H21FN6O/c1-27-18-7-3-6-16-17(18)11-19-21(16)22(30-12-20(26)24(13-30)8-9-24)29-23(28-19)31-15-5-2-4-14(25)10-15;1-13-26-9-14(10-27-13)31-22-28-18-8-16-15(4-3-5-17(16)25-2)20(18)21(29-22)30-11-19(24)23(12-30)6-7-23;1-24-19-6-2-5-17-18(19)8-20-21(17)22(29-12-14-9-26-10-15(14)13-29)28-23(27-20)30-16-4-3-7-25-11-16;1-24-17-6-2-5-13-14(17)8-18-19(13)20(28-10-15(22)16(23)11-28)27-21(26-18)29-12-4-3-7-25-9-12/h2-7,10,20,27H,8-9,11-13,26H2,1H3;3-5,9-10,19,25H,6-8,11-12,24H2,1-2H3;2-7,11,14-15,24,26H,8-10,12-13H2,1H3;2-7,9,15-16,24H,8,10-11,23H2,1H3/t20-;19-;;15?,16-/m01.1/s1
InChIKeyJSHCGEJNRUUAIC-QTXDVHPGSA-N
MW1625.91 g/mol
LogP12.55
Rot. Bonds16

About 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(3-fluorophenoxy)-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3R)-3-amino-4-fluoropyrrolidin-1-yl]-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine

4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(3-fluorophenoxy)-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3R)-3-amino-4-fluoropyrrolidin-1-yl]-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine (PubChem CID 159009104) has the molecular formula C91H94F2N24O4 and a molecular weight of 1625.91 g/mol. Its IUPAC name is 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(3-fluorophenoxy)-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3R)-3-amino-4-fluoropyrrolidin-1-yl]-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine.

Molecular Properties

Compound Name4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(3-fluorophenoxy)-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3R)-3-amino-4-fluoropyrrolidin-1-yl]-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine
PubChem CID159009104
Molecular FormulaC91H94F2N24O4
Molecular Weight1625.91 g/mol
Exact Mass1624.79
IUPAC Name4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(3-fluorophenoxy)-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3R)-3-amino-4-fluoropyrrolidin-1-yl]-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine
SMILESCNc1cccc2c1Cc1nc(Oc3cccc(F)c3)nc(N3C[C@H](N)C4(CC4)C3)c1-2.CNc1cccc2c1Cc1nc(Oc3cccnc3)nc(N3CC(F)[C@H](N)C3)c1-2.CNc1cccc2c1Cc1nc(Oc3cccnc3)nc(N3CC4CNCC4C3)c1-2.CNc1cccc2c1Cc1nc(Oc3cnc(C)nc3)nc(N3C[C@@H](N)C4(CC4)C3)c1-2
InChIInChI=1S/C24H24FN5O.C23H25N7O.C23H24N6O.C21H21FN6O/c1-27-18-7-3-6-16-17(18)11-19-21(16)22(30-12-20(26)24(13-30)8-9-24)29-23(28-19)31-15-5-2-4-14(25)10-15;1-13-26-9-14(10-27-13)31-22-28-18-8-16-15(4-3-5-17(16)25-2)20(18)21(29-22)30-11-19(24)23(12-30)6-7-23;1-24-19-6-2-5-17-18(19)8-20-21(17)22(29-12-14-9-26-10-15(14)13-29)28-23(27-20)30-16-4-3-7-25-11-16;1-24-17-6-2-5-13-14(17)8-18-19(13)20(28-10-15(22)16(23)11-28)27-21(26-18)29-12-4-3-7-25-9-12/h2-7,10,20,27H,8-9,11-13,26H2,1H3;3-5,9-10,19,25H,6-8,11-12,24H2,1-2H3;2-7,11,14-15,24,26H,8-10,12-13H2,1H3;2-7,9,15-16,24H,8,10-11,23H2,1H3/t20-;19-;;15?,16-/m01.1/s1
InChIKeyJSHCGEJNRUUAIC-QTXDVHPGSA-N
XLogP12.55
TPSA342.77 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds16
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001625.91
LogP ≤ 512.55
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Analyze 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(3-fluorophenoxy)-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3R)-3-amino-4-fluoropyrrolidin-1-yl]-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine with MolForge

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Related Compounds

4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine
CID 162019129
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-(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
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
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-[(4E)-3-amino-4-methoxyiminopyrrolidin-1-yl]-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine
CID 172959252
4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(3-methylidene-1,2-dihydroisoindol-5-yl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine
CID 162001826
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
2-amino-N-[(7S)-5-[6-fluoro-8-(methylamino)-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-yl]acetamide
CID 159624025
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
(2R)-2-amino-N-[(2S)-1-[[(7S)-5-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-yl]amino]-1-oxopropan-2-yl]propanamide
CID 161223397
4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine
CID 162194950

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(3-fluorophenoxy)-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3R)-3-amino-4-fluoropyrrolidin-1-yl]-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine?
The IUPAC name of 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(3-fluorophenoxy)-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3R)-3-amino-4-fluoropyrrolidin-1-yl]-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine (CID 159009104) is 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(3-fluorophenoxy)-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3R)-3-amino-4-fluoropyrrolidin-1-yl]-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine.
What is the SMILES notation for 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(3-fluorophenoxy)-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3R)-3-amino-4-fluoropyrrolidin-1-yl]-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine?
The canonical SMILES for 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(3-fluorophenoxy)-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3R)-3-amino-4-fluoropyrrolidin-1-yl]-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine is CNc1cccc2c1Cc1nc(Oc3cccc(F)c3)nc(N3C[C@H](N)C4(CC4)C3)c1-2.CNc1cccc2c1Cc1nc(Oc3cccnc3)nc(N3CC(F)[C@H](N)C3)c1-2.CNc1cccc2c1Cc1nc(Oc3cccnc3)nc(N3CC4CNCC4C3)c1-2.CNc1cccc2c1Cc1nc(Oc3cnc(C)nc3)nc(N3C[C@@H](N)C4(CC4)C3)c1-2.
What is the InChIKey of 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(3-fluorophenoxy)-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3R)-3-amino-4-fluoropyrrolidin-1-yl]-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine?
The InChIKey is JSHCGEJNRUUAIC-QTXDVHPGSA-N. The full InChI is InChI=1S/C24H24FN5O.C23H25N7O.C23H24N6O.C21H21FN6O/c1-27-18-7-3-6-16-17(18)11-19-21(16)22(30-12-20(26)24(13-30)8-9-24)29-23(28-19)31-15-5-2-4-14(25)10-15;1-13-26-9-14(10-27-13)31-22-28-18-8-16-15(4-3-5-17(16)25-2)20(18)21(29-22)30-11-19(24)23(12-30)6-7-23;1-24-19-6-2-5-17-18(19)8-20-21(17)22(29-12-14-9-26-10-15(14)13-29)28-23(27-20)30-16-4-3-7-25-11-16;1-24-17-6-2-5-13-14(17)8-18-19(13)20(28-10-15(22)16(23)11-28)27-21(26-18)29-12-4-3-7-25-9-12/h2-7,10,20,27H,8-9,11-13,26H2,1H3;3-5,9-10,19,25H,6-8,11-12,24H2,1-2H3;2-7,11,14-15,24,26H,8-10,12-13H2,1H3;2-7,9,15-16,24H,8,10-11,23H2,1H3/t20-;19-;;15?,16-/m01.1/s1.
What are the key properties of 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(3-fluorophenoxy)-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3R)-3-amino-4-fluoropyrrolidin-1-yl]-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine?
4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(3-fluorophenoxy)-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3R)-3-amino-4-fluoropyrrolidin-1-yl]-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine has a molecular weight of 1625.91 g/mol, XLogP of 12.55, 16 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-(3-fluorophenoxy)-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3R)-3-amino-4-fluoropyrrolidin-1-yl]-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine is sourced from PubChem (CID 159009104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).