4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-6-fluoro-N-methyl-2-[(6-prop-1-en-2-yl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;7-[[4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-8-(methylamino)-9H-indeno[2,1-d]pyrimidin-2-yl]oxy]-3,4-dihydro-2H-naphthalen-1-one;4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-[(5-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-([1,4]dioxino[2,3-b]pyridin-7-yloxy)-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-(2-propylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine

C128H131F5N30O8 — CID 162071373

IUPAC4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-6-fluoro-N-methyl-2-[(6-prop-1-en-2-yl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;7-[[4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-8-(methylamino)-9H-indeno[2,1-d]pyrimidin-2-yl]oxy]-3,4-dihydro-2H-naphthalen-1-one;4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-[(5-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-([1,4]dioxino[2,3-b]pyridin-7-yloxy)-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-(2-propylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine
SMILESC=C(C)c1ccc(Oc2nc3c(c(N4CC5CCNC5C4)n2)-c2cc(F)cc(NC)c2C3)cn1.CCCc1ncc(Oc2nc3c(c(N4C[C@H](N)C5(CC5)C4)n2)-c2cc(F)cc(NC)c2C3)cn1.CNc1cc(F)cc2c1Cc1nc(Oc3ccc4c(c3)C(=O)CCC4)nc(N3CC4C[C@@H](N)C4C3)c1-2.CNc1cc(F)cc2c1Cc1nc(Oc3cnc4c(c3)OC=CO4)nc(N3C[C@H](N)C4(CC4)C3)c1-2.CNc1cc(F)cc2c1Cc1nc(Oc3cncc(C)c3)nc(N3CC4CC(N)C4C3)c1-2
InChIInChI=1S/C28H28FN5O2.C26H27FN6O.C25H28FN7O.C25H23FN6O3.C24H25FN6O/c1-31-23-9-16(29)8-20-19(23)11-24-26(20)27(34-12-15-7-22(30)21(15)13-34)33-28(32-24)36-17-6-5-14-3-2-4-25(35)18(14)10-17;1-14(2)20-5-4-17(11-30-20)34-26-31-22-10-18-19(8-16(27)9-21(18)28-3)24(22)25(32-26)33-12-15-6-7-29-23(15)13-33;1-3-4-21-29-10-15(11-30-21)34-24-31-19-9-16-17(7-14(26)8-18(16)28-2)22(19)23(32-24)33-12-20(27)25(13-33)5-6-25;1-28-17-7-13(26)6-16-15(17)9-18-21(16)22(32-11-20(27)25(12-32)2-3-25)31-24(30-18)35-14-8-19-23(29-10-14)34-5-4-33-19;1-12-3-15(9-28-8-12)32-24-29-21-7-16-17(5-14(25)6-20(16)27-2)22(21)23(30-24)31-10-13-4-19(26)18(13)11-31/h5-6,8-10,15,21-22,31H,2-4,7,11-13,30H2,1H3;4-5,8-9,11,15,23,28-29H,1,6-7,10,12-13H2,2-3H3;7-8,10-11,20,28H,3-6,9,12-13,27H2,1-2H3;4-8,10,20,28H,2-3,9,11-12,27H2,1H3;3,5-6,8-9,13,18-19,27H,4,7,10-11,26H2,1-2H3/t15?,21?,22-;;2*20-;/m1.00./s1
InChIKeyZBCZIPNUNVWGLA-MWPVGXIOSA-N
MW2312.65 g/mol
LogP19.35
Rot. Bonds23

About 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-6-fluoro-N-methyl-2-[(6-prop-1-en-2-yl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;7-[[4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-8-(methylamino)-9H-indeno[2,1-d]pyrimidin-2-yl]oxy]-3,4-dihydro-2H-naphthalen-1-one;4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-[(5-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-([1,4]dioxino[2,3-b]pyridin-7-yloxy)-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-(2-propylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine

4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-6-fluoro-N-methyl-2-[(6-prop-1-en-2-yl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;7-[[4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-8-(methylamino)-9H-indeno[2,1-d]pyrimidin-2-yl]oxy]-3,4-dihydro-2H-naphthalen-1-one;4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-[(5-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-([1,4]dioxino[2,3-b]pyridin-7-yloxy)-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-(2-propylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine (PubChem CID 162071373) has the molecular formula C128H131F5N30O8 and a molecular weight of 2312.65 g/mol. Its IUPAC name is 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-6-fluoro-N-methyl-2-[(6-prop-1-en-2-yl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;7-[[4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-8-(methylamino)-9H-indeno[2,1-d]pyrimidin-2-yl]oxy]-3,4-dihydro-2H-naphthalen-1-one;4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-[(5-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-([1,4]dioxino[2,3-b]pyridin-7-yloxy)-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-(2-propylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine.

Molecular Properties

Compound Name4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-6-fluoro-N-methyl-2-[(6-prop-1-en-2-yl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;7-[[4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-8-(methylamino)-9H-indeno[2,1-d]pyrimidin-2-yl]oxy]-3,4-dihydro-2H-naphthalen-1-one;4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-[(5-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-([1,4]dioxino[2,3-b]pyridin-7-yloxy)-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-(2-propylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine
PubChem CID162071373
Molecular FormulaC128H131F5N30O8
Molecular Weight2312.65 g/mol
Exact Mass2311.07
IUPAC Name4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-6-fluoro-N-methyl-2-[(6-prop-1-en-2-yl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;7-[[4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-8-(methylamino)-9H-indeno[2,1-d]pyrimidin-2-yl]oxy]-3,4-dihydro-2H-naphthalen-1-one;4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-[(5-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-([1,4]dioxino[2,3-b]pyridin-7-yloxy)-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-(2-propylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine
SMILESC=C(C)c1ccc(Oc2nc3c(c(N4CC5CCNC5C4)n2)-c2cc(F)cc(NC)c2C3)cn1.CCCc1ncc(Oc2nc3c(c(N4C[C@H](N)C5(CC5)C4)n2)-c2cc(F)cc(NC)c2C3)cn1.CNc1cc(F)cc2c1Cc1nc(Oc3ccc4c(c3)C(=O)CCC4)nc(N3CC4C[C@@H](N)C4C3)c1-2.CNc1cc(F)cc2c1Cc1nc(Oc3cnc4c(c3)OC=CO4)nc(N3C[C@H](N)C4(CC4)C3)c1-2.CNc1cc(F)cc2c1Cc1nc(Oc3cncc(C)c3)nc(N3CC4CC(N)C4C3)c1-2
InChIInChI=1S/C28H28FN5O2.C26H27FN6O.C25H28FN7O.C25H23FN6O3.C24H25FN6O/c1-31-23-9-16(29)8-20-19(23)11-24-26(20)27(34-12-15-7-22(30)21(15)13-34)33-28(32-24)36-17-6-5-14-3-2-4-25(35)18(14)10-17;1-14(2)20-5-4-17(11-30-20)34-26-31-22-10-18-19(8-16(27)9-21(18)28-3)24(22)25(32-26)33-12-15-6-7-29-23(15)13-33;1-3-4-21-29-10-15(11-30-21)34-24-31-19-9-16-17(7-14(26)8-18(16)28-2)22(19)23(32-24)33-12-20(27)25(13-33)5-6-25;1-28-17-7-13(26)6-16-15(17)9-18-21(16)22(32-11-20(27)25(12-32)2-3-25)31-24(30-18)35-14-8-19-23(29-10-14)34-5-4-33-19;1-12-3-15(9-28-8-12)32-24-29-21-7-16-17(5-14(25)6-20(16)27-2)22(21)23(30-24)31-10-13-4-19(26)18(13)11-31/h5-6,8-10,15,21-22,31H,2-4,7,11-13,30H2,1H3;4-5,8-9,11,15,23,28-29H,1,6-7,10,12-13H2,2-3H3;7-8,10-11,20,28H,3-6,9,12-13,27H2,1-2H3;4-8,10,20,28H,2-3,9,11-12,27H2,1H3;3,5-6,8-9,13,18-19,27H,4,7,10-11,26H2,1-2H3/t15?,21?,22-;;2*20-;/m1.00./s1
InChIKeyZBCZIPNUNVWGLA-MWPVGXIOSA-N
XLogP19.35
TPSA467.49 Ų
H-Bond Donors10
H-Bond Acceptors38
Rotatable Bonds23
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002312.65
LogP ≤ 519.35
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1038

Analyze 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-6-fluoro-N-methyl-2-[(6-prop-1-en-2-yl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;7-[[4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-8-(methylamino)-9H-indeno[2,1-d]pyrimidin-2-yl]oxy]-3,4-dihydro-2H-naphthalen-1-one;4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-[(5-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-([1,4]dioxino[2,3-b]pyridin-7-yloxy)-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-(2-propylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-6-fluoro-N-methyl-2-[(6-prop-1-en-2-yl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;7-[[4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-8-(methylamino)-9H-indeno[2,1-d]pyrimidin-2-yl]oxy]-3,4-dihydro-2H-naphthalen-1-one;4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-[(5-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-([1,4]dioxino[2,3-b]pyridin-7-yloxy)-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-(2-propylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine?
The IUPAC name of 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-6-fluoro-N-methyl-2-[(6-prop-1-en-2-yl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;7-[[4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-8-(methylamino)-9H-indeno[2,1-d]pyrimidin-2-yl]oxy]-3,4-dihydro-2H-naphthalen-1-one;4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-[(5-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-([1,4]dioxino[2,3-b]pyridin-7-yloxy)-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-(2-propylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine (CID 162071373) is 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-6-fluoro-N-methyl-2-[(6-prop-1-en-2-yl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;7-[[4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-8-(methylamino)-9H-indeno[2,1-d]pyrimidin-2-yl]oxy]-3,4-dihydro-2H-naphthalen-1-one;4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-[(5-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-([1,4]dioxino[2,3-b]pyridin-7-yloxy)-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-(2-propylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine.
What is the SMILES notation for 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-6-fluoro-N-methyl-2-[(6-prop-1-en-2-yl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;7-[[4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-8-(methylamino)-9H-indeno[2,1-d]pyrimidin-2-yl]oxy]-3,4-dihydro-2H-naphthalen-1-one;4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-[(5-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-([1,4]dioxino[2,3-b]pyridin-7-yloxy)-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-(2-propylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine?
The canonical SMILES for 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-6-fluoro-N-methyl-2-[(6-prop-1-en-2-yl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;7-[[4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-8-(methylamino)-9H-indeno[2,1-d]pyrimidin-2-yl]oxy]-3,4-dihydro-2H-naphthalen-1-one;4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-[(5-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-([1,4]dioxino[2,3-b]pyridin-7-yloxy)-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-(2-propylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine is C=C(C)c1ccc(Oc2nc3c(c(N4CC5CCNC5C4)n2)-c2cc(F)cc(NC)c2C3)cn1.CCCc1ncc(Oc2nc3c(c(N4C[C@H](N)C5(CC5)C4)n2)-c2cc(F)cc(NC)c2C3)cn1.CNc1cc(F)cc2c1Cc1nc(Oc3ccc4c(c3)C(=O)CCC4)nc(N3CC4C[C@@H](N)C4C3)c1-2.CNc1cc(F)cc2c1Cc1nc(Oc3cnc4c(c3)OC=CO4)nc(N3C[C@H](N)C4(CC4)C3)c1-2.CNc1cc(F)cc2c1Cc1nc(Oc3cncc(C)c3)nc(N3CC4CC(N)C4C3)c1-2.
What is the InChIKey of 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-6-fluoro-N-methyl-2-[(6-prop-1-en-2-yl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;7-[[4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-8-(methylamino)-9H-indeno[2,1-d]pyrimidin-2-yl]oxy]-3,4-dihydro-2H-naphthalen-1-one;4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-[(5-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-([1,4]dioxino[2,3-b]pyridin-7-yloxy)-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-(2-propylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine?
The InChIKey is ZBCZIPNUNVWGLA-MWPVGXIOSA-N. The full InChI is InChI=1S/C28H28FN5O2.C26H27FN6O.C25H28FN7O.C25H23FN6O3.C24H25FN6O/c1-31-23-9-16(29)8-20-19(23)11-24-26(20)27(34-12-15-7-22(30)21(15)13-34)33-28(32-24)36-17-6-5-14-3-2-4-25(35)18(14)10-17;1-14(2)20-5-4-17(11-30-20)34-26-31-22-10-18-19(8-16(27)9-21(18)28-3)24(22)25(32-26)33-12-15-6-7-29-23(15)13-33;1-3-4-21-29-10-15(11-30-21)34-24-31-19-9-16-17(7-14(26)8-18(16)28-2)22(19)23(32-24)33-12-20(27)25(13-33)5-6-25;1-28-17-7-13(26)6-16-15(17)9-18-21(16)22(32-11-20(27)25(12-32)2-3-25)31-24(30-18)35-14-8-19-23(29-10-14)34-5-4-33-19;1-12-3-15(9-28-8-12)32-24-29-21-7-16-17(5-14(25)6-20(16)27-2)22(21)23(30-24)31-10-13-4-19(26)18(13)11-31/h5-6,8-10,15,21-22,31H,2-4,7,11-13,30H2,1H3;4-5,8-9,11,15,23,28-29H,1,6-7,10,12-13H2,2-3H3;7-8,10-11,20,28H,3-6,9,12-13,27H2,1-2H3;4-8,10,20,28H,2-3,9,11-12,27H2,1H3;3,5-6,8-9,13,18-19,27H,4,7,10-11,26H2,1-2H3/t15?,21?,22-;;2*20-;/m1.00./s1.
What are the key properties of 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-6-fluoro-N-methyl-2-[(6-prop-1-en-2-yl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;7-[[4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-8-(methylamino)-9H-indeno[2,1-d]pyrimidin-2-yl]oxy]-3,4-dihydro-2H-naphthalen-1-one;4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-[(5-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-([1,4]dioxino[2,3-b]pyridin-7-yloxy)-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-(2-propylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine?
4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-6-fluoro-N-methyl-2-[(6-prop-1-en-2-yl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;7-[[4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-8-(methylamino)-9H-indeno[2,1-d]pyrimidin-2-yl]oxy]-3,4-dihydro-2H-naphthalen-1-one;4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-[(5-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-([1,4]dioxino[2,3-b]pyridin-7-yloxy)-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-(2-propylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine has a molecular weight of 2312.65 g/mol, XLogP of 19.35, 23 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-6-fluoro-N-methyl-2-[(6-prop-1-en-2-yl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;7-[[4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-8-(methylamino)-9H-indeno[2,1-d]pyrimidin-2-yl]oxy]-3,4-dihydro-2H-naphthalen-1-one;4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-[(5-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-([1,4]dioxino[2,3-b]pyridin-7-yloxy)-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-(2-propylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine is sourced from PubChem (CID 162071373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).