3-amino-1-(oxan-4-yl)pyridin-2-one;8-chloro-N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide;8-chloro-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-8-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-8-[[1-(oxan-4-yl)-2H-pyridin-3-yl]amino]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide

C110H120Cl2F4N26O18 — CID 157275445

IUPAC3-amino-1-(oxan-4-yl)pyridin-2-one;8-chloro-N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide;8-chloro-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-8-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-8-[[1-(oxan-4-yl)-2H-pyridin-3-yl]amino]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide
SMILESCOc1ccc(CN2CCOc3c(Cl)nc4c(C(=O)N[C@@H]5C[C@@H]5F)cnn4c32)cc1.COc1ccc(CN2CCOc3c(Cl)nc4c(C(=O)O)cnn4c32)cc1.COc1ccc(CN2CCOc3c(NC4=CC=CN(C5CCOCC5)C4)nc4c(C(=O)N[C@@H]5C[C@@H]5F)cnn4c32)cc1.COc1ccc(CN2CCOc3c(Nc4cccn(C5CCOCC5)c4=O)nc4c(C(=O)N[C@@H]5C[C@@H]5F)cnn4c32)cc1.N[C@@H]1C[C@@H]1F.Nc1cccn(C2CCOCC2)c1=O
InChIInChI=1S/C30H32FN7O5.C30H34FN7O4.C20H19ClFN5O3.C17H15ClN4O4.C10H14N2O2.C3H6FN/c1-41-20-6-4-18(5-7-20)17-36-11-14-43-25-26(33-23-3-2-10-37(30(23)40)19-8-12-42-13-9-19)35-27-21(16-32-38(27)29(25)36)28(39)34-24-15-22(24)31;1-40-22-6-4-19(5-7-22)17-37-11-14-42-26-27(33-20-3-2-10-36(18-20)21-8-12-41-13-9-21)35-28-23(16-32-38(28)30(26)37)29(39)34-25-15-24(25)31;1-29-12-4-2-11(3-5-12)10-26-6-7-30-16-17(21)25-18-13(9-23-27(18)20(16)26)19(28)24-15-8-14(15)22;1-25-11-4-2-10(3-5-11)9-21-6-7-26-13-14(18)20-15-12(17(23)24)8-19-22(15)16(13)21;11-9-2-1-5-12(10(9)13)8-3-6-14-7-4-8;4-2-1-3(2)5/h2-7,10,16,19,22,24H,8-9,11-15,17H2,1H3,(H,33,35)(H,34,39);2-7,10,16,21,24-25H,8-9,11-15,17-18H2,1H3,(H,33,35)(H,34,39);2-5,9,14-15H,6-8,10H2,1H3,(H,24,28);2-5,8H,6-7,9H2,1H3,(H,23,24);1-2,5,8H,3-4,6-7,11H2;2-3H,1,5H2/t22-,24+;24-,25+;14-,15+;;;2-,3+/m000..0/s1
InChIKeyAZARPMSBNDPLMU-OXYZNCKKSA-N
MW2241.23 g/mol
LogP12.47
Rot. Bonds26

About 3-amino-1-(oxan-4-yl)pyridin-2-one;8-chloro-N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide;8-chloro-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-8-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-8-[[1-(oxan-4-yl)-2H-pyridin-3-yl]amino]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide

3-amino-1-(oxan-4-yl)pyridin-2-one;8-chloro-N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide;8-chloro-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-8-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-8-[[1-(oxan-4-yl)-2H-pyridin-3-yl]amino]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide (PubChem CID 157275445) has the molecular formula C110H120Cl2F4N26O18 and a molecular weight of 2241.23 g/mol. Its IUPAC name is 3-amino-1-(oxan-4-yl)pyridin-2-one;8-chloro-N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide;8-chloro-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-8-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-8-[[1-(oxan-4-yl)-2H-pyridin-3-yl]amino]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide.

Molecular Properties

Compound Name3-amino-1-(oxan-4-yl)pyridin-2-one;8-chloro-N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide;8-chloro-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-8-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-8-[[1-(oxan-4-yl)-2H-pyridin-3-yl]amino]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide
PubChem CID157275445
Molecular FormulaC110H120Cl2F4N26O18
Molecular Weight2241.23 g/mol
Exact Mass2238.86
IUPAC Name3-amino-1-(oxan-4-yl)pyridin-2-one;8-chloro-N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide;8-chloro-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-8-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-8-[[1-(oxan-4-yl)-2H-pyridin-3-yl]amino]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide
SMILESCOc1ccc(CN2CCOc3c(Cl)nc4c(C(=O)N[C@@H]5C[C@@H]5F)cnn4c32)cc1.COc1ccc(CN2CCOc3c(Cl)nc4c(C(=O)O)cnn4c32)cc1.COc1ccc(CN2CCOc3c(NC4=CC=CN(C5CCOCC5)C4)nc4c(C(=O)N[C@@H]5C[C@@H]5F)cnn4c32)cc1.COc1ccc(CN2CCOc3c(Nc4cccn(C5CCOCC5)c4=O)nc4c(C(=O)N[C@@H]5C[C@@H]5F)cnn4c32)cc1.N[C@@H]1C[C@@H]1F.Nc1cccn(C2CCOCC2)c1=O
InChIInChI=1S/C30H32FN7O5.C30H34FN7O4.C20H19ClFN5O3.C17H15ClN4O4.C10H14N2O2.C3H6FN/c1-41-20-6-4-18(5-7-20)17-36-11-14-43-25-26(33-23-3-2-10-37(30(23)40)19-8-12-42-13-9-19)35-27-21(16-32-38(27)29(25)36)28(39)34-24-15-22(24)31;1-40-22-6-4-19(5-7-22)17-37-11-14-42-26-27(33-20-3-2-10-36(18-20)21-8-12-41-13-9-21)35-28-23(16-32-38(28)30(26)37)29(39)34-25-15-24(25)31;1-29-12-4-2-11(3-5-12)10-26-6-7-30-16-17(21)25-18-13(9-23-27(18)20(16)26)19(28)24-15-8-14(15)22;1-25-11-4-2-10(3-5-11)9-21-6-7-26-13-14(18)20-15-12(17(23)24)8-19-22(15)16(13)21;11-9-2-1-5-12(10(9)13)8-3-6-14-7-4-8;4-2-1-3(2)5/h2-7,10,16,19,22,24H,8-9,11-15,17H2,1H3,(H,33,35)(H,34,39);2-7,10,16,21,24-25H,8-9,11-15,17-18H2,1H3,(H,33,35)(H,34,39);2-5,9,14-15H,6-8,10H2,1H3,(H,24,28);2-5,8H,6-7,9H2,1H3,(H,23,24);1-2,5,8H,3-4,6-7,11H2;2-3H,1,5H2/t22-,24+;24-,25+;14-,15+;;;2-,3+/m000..0/s1
InChIKeyAZARPMSBNDPLMU-OXYZNCKKSA-N
XLogP12.47
TPSA483.19 Ų
H-Bond Donors8
H-Bond Acceptors40
Rotatable Bonds26
Heavy Atoms160
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002241.23
LogP ≤ 512.47
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1040

Analyze 3-amino-1-(oxan-4-yl)pyridin-2-one;8-chloro-N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide;8-chloro-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-8-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-8-[[1-(oxan-4-yl)-2H-pyridin-3-yl]amino]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(oxan-4-yl)pyridin-2-one;8-chloro-N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide;8-chloro-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-8-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-8-[[1-(oxan-4-yl)-2H-pyridin-3-yl]amino]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide?
The IUPAC name of 3-amino-1-(oxan-4-yl)pyridin-2-one;8-chloro-N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide;8-chloro-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-8-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-8-[[1-(oxan-4-yl)-2H-pyridin-3-yl]amino]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide (CID 157275445) is 3-amino-1-(oxan-4-yl)pyridin-2-one;8-chloro-N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide;8-chloro-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-8-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-8-[[1-(oxan-4-yl)-2H-pyridin-3-yl]amino]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide.
What is the SMILES notation for 3-amino-1-(oxan-4-yl)pyridin-2-one;8-chloro-N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide;8-chloro-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-8-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-8-[[1-(oxan-4-yl)-2H-pyridin-3-yl]amino]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide?
The canonical SMILES for 3-amino-1-(oxan-4-yl)pyridin-2-one;8-chloro-N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide;8-chloro-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-8-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-8-[[1-(oxan-4-yl)-2H-pyridin-3-yl]amino]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide is COc1ccc(CN2CCOc3c(Cl)nc4c(C(=O)N[C@@H]5C[C@@H]5F)cnn4c32)cc1.COc1ccc(CN2CCOc3c(Cl)nc4c(C(=O)O)cnn4c32)cc1.COc1ccc(CN2CCOc3c(NC4=CC=CN(C5CCOCC5)C4)nc4c(C(=O)N[C@@H]5C[C@@H]5F)cnn4c32)cc1.COc1ccc(CN2CCOc3c(Nc4cccn(C5CCOCC5)c4=O)nc4c(C(=O)N[C@@H]5C[C@@H]5F)cnn4c32)cc1.N[C@@H]1C[C@@H]1F.Nc1cccn(C2CCOCC2)c1=O.
What is the InChIKey of 3-amino-1-(oxan-4-yl)pyridin-2-one;8-chloro-N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide;8-chloro-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-8-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-8-[[1-(oxan-4-yl)-2H-pyridin-3-yl]amino]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide?
The InChIKey is AZARPMSBNDPLMU-OXYZNCKKSA-N. The full InChI is InChI=1S/C30H32FN7O5.C30H34FN7O4.C20H19ClFN5O3.C17H15ClN4O4.C10H14N2O2.C3H6FN/c1-41-20-6-4-18(5-7-20)17-36-11-14-43-25-26(33-23-3-2-10-37(30(23)40)19-8-12-42-13-9-19)35-27-21(16-32-38(27)29(25)36)28(39)34-24-15-22(24)31;1-40-22-6-4-19(5-7-22)17-37-11-14-42-26-27(33-20-3-2-10-36(18-20)21-8-12-41-13-9-21)35-28-23(16-32-38(28)30(26)37)29(39)34-25-15-24(25)31;1-29-12-4-2-11(3-5-12)10-26-6-7-30-16-17(21)25-18-13(9-23-27(18)20(16)26)19(28)24-15-8-14(15)22;1-25-11-4-2-10(3-5-11)9-21-6-7-26-13-14(18)20-15-12(17(23)24)8-19-22(15)16(13)21;11-9-2-1-5-12(10(9)13)8-3-6-14-7-4-8;4-2-1-3(2)5/h2-7,10,16,19,22,24H,8-9,11-15,17H2,1H3,(H,33,35)(H,34,39);2-7,10,16,21,24-25H,8-9,11-15,17-18H2,1H3,(H,33,35)(H,34,39);2-5,9,14-15H,6-8,10H2,1H3,(H,24,28);2-5,8H,6-7,9H2,1H3,(H,23,24);1-2,5,8H,3-4,6-7,11H2;2-3H,1,5H2/t22-,24+;24-,25+;14-,15+;;;2-,3+/m000..0/s1.
What are the key properties of 3-amino-1-(oxan-4-yl)pyridin-2-one;8-chloro-N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide;8-chloro-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-8-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-8-[[1-(oxan-4-yl)-2H-pyridin-3-yl]amino]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide?
3-amino-1-(oxan-4-yl)pyridin-2-one;8-chloro-N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide;8-chloro-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-8-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-8-[[1-(oxan-4-yl)-2H-pyridin-3-yl]amino]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide has a molecular weight of 2241.23 g/mol, XLogP of 12.47, 26 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(oxan-4-yl)pyridin-2-one;8-chloro-N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide;8-chloro-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxylic acid;cis-(1R,2S)-2-fluorocyclopropan-1-amine;N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-8-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-13-[(4-methoxyphenyl)methyl]-8-[[1-(oxan-4-yl)-2H-pyridin-3-yl]amino]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxamide is sourced from PubChem (CID 157275445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).