7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one;1-[(3-cyanophenyl)methyl]-4-fluoro-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoro-N-[(7R)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoro-N-(9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl)pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoropyrazole-3-carboxylic acid;methane

C89H82F4N24O9 — CID 157093822

IUPAC7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one;1-[(3-cyanophenyl)methyl]-4-fluoro-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoro-N-[(7R)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoro-N-(9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl)pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoropyrazole-3-carboxylic acid;methane
SMILESC.CN1C(=O)C(N)CCc2cccnc21.CN1C(=O)C(NC(=O)c2nn(Cc3cccc(C#N)c3)cc2F)CCc2cccnc21.CN1C(=O)[C@@H](NC(=O)c2nn(Cc3cccc(C#N)c3)cc2F)CCc2cccnc21.CN1C(=O)[C@H](NC(=O)c2nn(Cc3cccc(C#N)c3)cc2F)CCc2cccnc21.N#Cc1cccc(Cn2cc(F)c(C(=O)O)n2)c1
InChIInChI=1S/3C22H19FN6O2.C12H8FN3O2.C10H13N3O.CH4/c3*1-28-20-16(6-3-9-25-20)7-8-18(22(28)31)26-21(30)19-17(23)13-29(27-19)12-15-5-2-4-14(10-15)11-24;13-10-7-16(15-11(10)12(17)18)6-9-3-1-2-8(4-9)5-14;1-13-9-7(3-2-6-12-9)4-5-8(11)10(13)14;/h3*2-6,9-10,13,18H,7-8,12H2,1H3,(H,26,30);1-4,7H,6H2,(H,17,18);2-3,6,8H,4-5,11H2,1H3;1H4/t2*18-;;;;/m10..../s1
InChIKeyAEYWGCAOQZMHFL-RTMVUYSBSA-N
MW1707.79 g/mol
LogP8.73
Rot. Bonds15

About 7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one;1-[(3-cyanophenyl)methyl]-4-fluoro-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoro-N-[(7R)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoro-N-(9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl)pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoropyrazole-3-carboxylic acid;methane

7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one;1-[(3-cyanophenyl)methyl]-4-fluoro-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoro-N-[(7R)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoro-N-(9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl)pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoropyrazole-3-carboxylic acid;methane (PubChem CID 157093822) has the molecular formula C89H82F4N24O9 and a molecular weight of 1707.79 g/mol. Its IUPAC name is 7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one;1-[(3-cyanophenyl)methyl]-4-fluoro-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoro-N-[(7R)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoro-N-(9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl)pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoropyrazole-3-carboxylic acid;methane.

Molecular Properties

Compound Name7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one;1-[(3-cyanophenyl)methyl]-4-fluoro-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoro-N-[(7R)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoro-N-(9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl)pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoropyrazole-3-carboxylic acid;methane
PubChem CID157093822
Molecular FormulaC89H82F4N24O9
Molecular Weight1707.79 g/mol
Exact Mass1706.66
IUPAC Name7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one;1-[(3-cyanophenyl)methyl]-4-fluoro-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoro-N-[(7R)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoro-N-(9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl)pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoropyrazole-3-carboxylic acid;methane
SMILESC.CN1C(=O)C(N)CCc2cccnc21.CN1C(=O)C(NC(=O)c2nn(Cc3cccc(C#N)c3)cc2F)CCc2cccnc21.CN1C(=O)[C@@H](NC(=O)c2nn(Cc3cccc(C#N)c3)cc2F)CCc2cccnc21.CN1C(=O)[C@H](NC(=O)c2nn(Cc3cccc(C#N)c3)cc2F)CCc2cccnc21.N#Cc1cccc(Cn2cc(F)c(C(=O)O)n2)c1
InChIInChI=1S/3C22H19FN6O2.C12H8FN3O2.C10H13N3O.CH4/c3*1-28-20-16(6-3-9-25-20)7-8-18(22(28)31)26-21(30)19-17(23)13-29(27-19)12-15-5-2-4-14(10-15)11-24;13-10-7-16(15-11(10)12(17)18)6-9-3-1-2-8(4-9)5-14;1-13-9-7(3-2-6-12-9)4-5-8(11)10(13)14;/h3*2-6,9-10,13,18H,7-8,12H2,1H3,(H,26,30);1-4,7H,6H2,(H,17,18);2-3,6,8H,4-5,11H2,1H3;1H4/t2*18-;;;;/m10..../s1
InChIKeyAEYWGCAOQZMHFL-RTMVUYSBSA-N
XLogP8.73
TPSA449.86 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds15
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001707.79
LogP ≤ 58.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze 7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one;1-[(3-cyanophenyl)methyl]-4-fluoro-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoro-N-[(7R)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoro-N-(9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl)pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoropyrazole-3-carboxylic acid;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one;1-[(3-cyanophenyl)methyl]-4-fluoro-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoro-N-[(7R)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoro-N-(9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl)pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoropyrazole-3-carboxylic acid;methane?
The IUPAC name of 7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one;1-[(3-cyanophenyl)methyl]-4-fluoro-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoro-N-[(7R)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoro-N-(9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl)pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoropyrazole-3-carboxylic acid;methane (CID 157093822) is 7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one;1-[(3-cyanophenyl)methyl]-4-fluoro-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoro-N-[(7R)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoro-N-(9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl)pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoropyrazole-3-carboxylic acid;methane.
What is the SMILES notation for 7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one;1-[(3-cyanophenyl)methyl]-4-fluoro-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoro-N-[(7R)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoro-N-(9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl)pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoropyrazole-3-carboxylic acid;methane?
The canonical SMILES for 7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one;1-[(3-cyanophenyl)methyl]-4-fluoro-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoro-N-[(7R)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoro-N-(9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl)pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoropyrazole-3-carboxylic acid;methane is C.CN1C(=O)C(N)CCc2cccnc21.CN1C(=O)C(NC(=O)c2nn(Cc3cccc(C#N)c3)cc2F)CCc2cccnc21.CN1C(=O)[C@@H](NC(=O)c2nn(Cc3cccc(C#N)c3)cc2F)CCc2cccnc21.CN1C(=O)[C@H](NC(=O)c2nn(Cc3cccc(C#N)c3)cc2F)CCc2cccnc21.N#Cc1cccc(Cn2cc(F)c(C(=O)O)n2)c1.
What is the InChIKey of 7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one;1-[(3-cyanophenyl)methyl]-4-fluoro-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoro-N-[(7R)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoro-N-(9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl)pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoropyrazole-3-carboxylic acid;methane?
The InChIKey is AEYWGCAOQZMHFL-RTMVUYSBSA-N. The full InChI is InChI=1S/3C22H19FN6O2.C12H8FN3O2.C10H13N3O.CH4/c3*1-28-20-16(6-3-9-25-20)7-8-18(22(28)31)26-21(30)19-17(23)13-29(27-19)12-15-5-2-4-14(10-15)11-24;13-10-7-16(15-11(10)12(17)18)6-9-3-1-2-8(4-9)5-14;1-13-9-7(3-2-6-12-9)4-5-8(11)10(13)14;/h3*2-6,9-10,13,18H,7-8,12H2,1H3,(H,26,30);1-4,7H,6H2,(H,17,18);2-3,6,8H,4-5,11H2,1H3;1H4/t2*18-;;;;/m10..../s1.
What are the key properties of 7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one;1-[(3-cyanophenyl)methyl]-4-fluoro-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoro-N-[(7R)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoro-N-(9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl)pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoropyrazole-3-carboxylic acid;methane?
7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one;1-[(3-cyanophenyl)methyl]-4-fluoro-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoro-N-[(7R)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoro-N-(9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl)pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoropyrazole-3-carboxylic acid;methane has a molecular weight of 1707.79 g/mol, XLogP of 8.73, 15 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one;1-[(3-cyanophenyl)methyl]-4-fluoro-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoro-N-[(7R)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoro-N-(9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl)pyrazole-3-carboxamide;1-[(3-cyanophenyl)methyl]-4-fluoropyrazole-3-carboxylic acid;methane is sourced from PubChem (CID 157093822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).