7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one;2,4-difluorophenol;4-(2,4-difluorophenoxy)-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyridine-2-carboxamide;4-(2,4-difluorophenoxy)-N-[(7R)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyridine-2-carboxamide;4-(2,4-difluorophenoxy)-N-(9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl)pyridine-2-carboxamide;4-(2,4-difluorophenoxy)pyridine-2-carboxylic acid;methyl 4-chloropyridine-2-carboxylate;methyl 4-(2,4-difluorophenoxy)pyridine-2-carboxylate

C114H93ClF12N18O19 — CID 162163546

IUPAC7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one;2,4-difluorophenol;4-(2,4-difluorophenoxy)-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyridine-2-carboxamide;4-(2,4-difluorophenoxy)-N-[(7R)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyridine-2-carboxamide;4-(2,4-difluorophenoxy)-N-(9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl)pyridine-2-carboxamide;4-(2,4-difluorophenoxy)pyridine-2-carboxylic acid;methyl 4-chloropyridine-2-carboxylate;methyl 4-(2,4-difluorophenoxy)pyridine-2-carboxylate
SMILESCN1C(=O)C(N)CCc2cccnc21.CN1C(=O)C(NC(=O)c2cc(Oc3ccc(F)cc3F)ccn2)CCc2cccnc21.CN1C(=O)[C@@H](NC(=O)c2cc(Oc3ccc(F)cc3F)ccn2)CCc2cccnc21.CN1C(=O)[C@H](NC(=O)c2cc(Oc3ccc(F)cc3F)ccn2)CCc2cccnc21.COC(=O)c1cc(Cl)ccn1.COC(=O)c1cc(Oc2ccc(F)cc2F)ccn1.O=C(O)c1cc(Oc2ccc(F)cc2F)ccn1.Oc1ccc(F)cc1F
InChIInChI=1S/3C22H18F2N4O3.C13H9F2NO3.C12H7F2NO3.C10H13N3O.C7H6ClNO2.C6H4F2O/c3*1-28-20-13(3-2-9-26-20)4-6-17(22(28)30)27-21(29)18-12-15(8-10-25-18)31-19-7-5-14(23)11-16(19)24;1-18-13(17)11-7-9(4-5-16-11)19-12-3-2-8(14)6-10(12)15;13-7-1-2-11(9(14)5-7)18-8-3-4-15-10(6-8)12(16)17;1-13-9-7(3-2-6-12-9)4-5-8(11)10(13)14;1-11-7(10)6-4-5(8)2-3-9-6;7-4-1-2-6(9)5(8)3-4/h3*2-3,5,7-12,17H,4,6H2,1H3,(H,27,29);2-7H,1H3;1-6H,(H,16,17);2-3,6,8H,4-5,11H2,1H3;2-4H,1H3;1-3,9H/t2*17-;;;;;;/m10....../s1
InChIKeyZMUXCIITUKGIDS-RGGFUCOUSA-N
MW2282.53 g/mol
LogP19.06
Rot. Bonds19

About 7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one;2,4-difluorophenol;4-(2,4-difluorophenoxy)-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyridine-2-carboxamide;4-(2,4-difluorophenoxy)-N-[(7R)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyridine-2-carboxamide;4-(2,4-difluorophenoxy)-N-(9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl)pyridine-2-carboxamide;4-(2,4-difluorophenoxy)pyridine-2-carboxylic acid;methyl 4-chloropyridine-2-carboxylate;methyl 4-(2,4-difluorophenoxy)pyridine-2-carboxylate

7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one;2,4-difluorophenol;4-(2,4-difluorophenoxy)-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyridine-2-carboxamide;4-(2,4-difluorophenoxy)-N-[(7R)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyridine-2-carboxamide;4-(2,4-difluorophenoxy)-N-(9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl)pyridine-2-carboxamide;4-(2,4-difluorophenoxy)pyridine-2-carboxylic acid;methyl 4-chloropyridine-2-carboxylate;methyl 4-(2,4-difluorophenoxy)pyridine-2-carboxylate (PubChem CID 162163546) has the molecular formula C114H93ClF12N18O19 and a molecular weight of 2282.53 g/mol. Its IUPAC name is 7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one;2,4-difluorophenol;4-(2,4-difluorophenoxy)-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyridine-2-carboxamide;4-(2,4-difluorophenoxy)-N-[(7R)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyridine-2-carboxamide;4-(2,4-difluorophenoxy)-N-(9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl)pyridine-2-carboxamide;4-(2,4-difluorophenoxy)pyridine-2-carboxylic acid;methyl 4-chloropyridine-2-carboxylate;methyl 4-(2,4-difluorophenoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Name7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one;2,4-difluorophenol;4-(2,4-difluorophenoxy)-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyridine-2-carboxamide;4-(2,4-difluorophenoxy)-N-[(7R)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyridine-2-carboxamide;4-(2,4-difluorophenoxy)-N-(9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl)pyridine-2-carboxamide;4-(2,4-difluorophenoxy)pyridine-2-carboxylic acid;methyl 4-chloropyridine-2-carboxylate;methyl 4-(2,4-difluorophenoxy)pyridine-2-carboxylate
PubChem CID162163546
Molecular FormulaC114H93ClF12N18O19
Molecular Weight2282.53 g/mol
Exact Mass2280.64
IUPAC Name7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one;2,4-difluorophenol;4-(2,4-difluorophenoxy)-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyridine-2-carboxamide;4-(2,4-difluorophenoxy)-N-[(7R)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyridine-2-carboxamide;4-(2,4-difluorophenoxy)-N-(9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl)pyridine-2-carboxamide;4-(2,4-difluorophenoxy)pyridine-2-carboxylic acid;methyl 4-chloropyridine-2-carboxylate;methyl 4-(2,4-difluorophenoxy)pyridine-2-carboxylate
SMILESCN1C(=O)C(N)CCc2cccnc21.CN1C(=O)C(NC(=O)c2cc(Oc3ccc(F)cc3F)ccn2)CCc2cccnc21.CN1C(=O)[C@@H](NC(=O)c2cc(Oc3ccc(F)cc3F)ccn2)CCc2cccnc21.CN1C(=O)[C@H](NC(=O)c2cc(Oc3ccc(F)cc3F)ccn2)CCc2cccnc21.COC(=O)c1cc(Cl)ccn1.COC(=O)c1cc(Oc2ccc(F)cc2F)ccn1.O=C(O)c1cc(Oc2ccc(F)cc2F)ccn1.Oc1ccc(F)cc1F
InChIInChI=1S/3C22H18F2N4O3.C13H9F2NO3.C12H7F2NO3.C10H13N3O.C7H6ClNO2.C6H4F2O/c3*1-28-20-13(3-2-9-26-20)4-6-17(22(28)30)27-21(29)18-12-15(8-10-25-18)31-19-7-5-14(23)11-16(19)24;1-18-13(17)11-7-9(4-5-16-11)19-12-3-2-8(14)6-10(12)15;13-7-1-2-11(9(14)5-7)18-8-3-4-15-10(6-8)12(16)17;1-13-9-7(3-2-6-12-9)4-5-8(11)10(13)14;1-11-7(10)6-4-5(8)2-3-9-6;7-4-1-2-6(9)5(8)3-4/h3*2-3,5,7-12,17H,4,6H2,1H3,(H,27,29);2-7H,1H3;1-6H,(H,16,17);2-3,6,8H,4-5,11H2,1H3;2-4H,1H3;1-3,9H/t2*17-;;;;;;/m10....../s1
InChIKeyZMUXCIITUKGIDS-RGGFUCOUSA-N
XLogP19.06
TPSA479.74 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds19
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002282.53
LogP ≤ 519.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Analyze 7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one;2,4-difluorophenol;4-(2,4-difluorophenoxy)-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyridine-2-carboxamide;4-(2,4-difluorophenoxy)-N-[(7R)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyridine-2-carboxamide;4-(2,4-difluorophenoxy)-N-(9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl)pyridine-2-carboxamide;4-(2,4-difluorophenoxy)pyridine-2-carboxylic acid;methyl 4-chloropyridine-2-carboxylate;methyl 4-(2,4-difluorophenoxy)pyridine-2-carboxylate 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;2,4-difluorophenol;4-(2,4-difluorophenoxy)-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyridine-2-carboxamide;4-(2,4-difluorophenoxy)-N-[(7R)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyridine-2-carboxamide;4-(2,4-difluorophenoxy)-N-(9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl)pyridine-2-carboxamide;4-(2,4-difluorophenoxy)pyridine-2-carboxylic acid;methyl 4-chloropyridine-2-carboxylate;methyl 4-(2,4-difluorophenoxy)pyridine-2-carboxylate?
The IUPAC name of 7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one;2,4-difluorophenol;4-(2,4-difluorophenoxy)-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyridine-2-carboxamide;4-(2,4-difluorophenoxy)-N-[(7R)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyridine-2-carboxamide;4-(2,4-difluorophenoxy)-N-(9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl)pyridine-2-carboxamide;4-(2,4-difluorophenoxy)pyridine-2-carboxylic acid;methyl 4-chloropyridine-2-carboxylate;methyl 4-(2,4-difluorophenoxy)pyridine-2-carboxylate (CID 162163546) is 7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one;2,4-difluorophenol;4-(2,4-difluorophenoxy)-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyridine-2-carboxamide;4-(2,4-difluorophenoxy)-N-[(7R)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyridine-2-carboxamide;4-(2,4-difluorophenoxy)-N-(9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl)pyridine-2-carboxamide;4-(2,4-difluorophenoxy)pyridine-2-carboxylic acid;methyl 4-chloropyridine-2-carboxylate;methyl 4-(2,4-difluorophenoxy)pyridine-2-carboxylate.
What is the SMILES notation for 7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one;2,4-difluorophenol;4-(2,4-difluorophenoxy)-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyridine-2-carboxamide;4-(2,4-difluorophenoxy)-N-[(7R)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyridine-2-carboxamide;4-(2,4-difluorophenoxy)-N-(9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl)pyridine-2-carboxamide;4-(2,4-difluorophenoxy)pyridine-2-carboxylic acid;methyl 4-chloropyridine-2-carboxylate;methyl 4-(2,4-difluorophenoxy)pyridine-2-carboxylate?
The canonical SMILES for 7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one;2,4-difluorophenol;4-(2,4-difluorophenoxy)-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyridine-2-carboxamide;4-(2,4-difluorophenoxy)-N-[(7R)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyridine-2-carboxamide;4-(2,4-difluorophenoxy)-N-(9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl)pyridine-2-carboxamide;4-(2,4-difluorophenoxy)pyridine-2-carboxylic acid;methyl 4-chloropyridine-2-carboxylate;methyl 4-(2,4-difluorophenoxy)pyridine-2-carboxylate is CN1C(=O)C(N)CCc2cccnc21.CN1C(=O)C(NC(=O)c2cc(Oc3ccc(F)cc3F)ccn2)CCc2cccnc21.CN1C(=O)[C@@H](NC(=O)c2cc(Oc3ccc(F)cc3F)ccn2)CCc2cccnc21.CN1C(=O)[C@H](NC(=O)c2cc(Oc3ccc(F)cc3F)ccn2)CCc2cccnc21.COC(=O)c1cc(Cl)ccn1.COC(=O)c1cc(Oc2ccc(F)cc2F)ccn1.O=C(O)c1cc(Oc2ccc(F)cc2F)ccn1.Oc1ccc(F)cc1F.
What is the InChIKey of 7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one;2,4-difluorophenol;4-(2,4-difluorophenoxy)-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyridine-2-carboxamide;4-(2,4-difluorophenoxy)-N-[(7R)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyridine-2-carboxamide;4-(2,4-difluorophenoxy)-N-(9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl)pyridine-2-carboxamide;4-(2,4-difluorophenoxy)pyridine-2-carboxylic acid;methyl 4-chloropyridine-2-carboxylate;methyl 4-(2,4-difluorophenoxy)pyridine-2-carboxylate?
The InChIKey is ZMUXCIITUKGIDS-RGGFUCOUSA-N. The full InChI is InChI=1S/3C22H18F2N4O3.C13H9F2NO3.C12H7F2NO3.C10H13N3O.C7H6ClNO2.C6H4F2O/c3*1-28-20-13(3-2-9-26-20)4-6-17(22(28)30)27-21(29)18-12-15(8-10-25-18)31-19-7-5-14(23)11-16(19)24;1-18-13(17)11-7-9(4-5-16-11)19-12-3-2-8(14)6-10(12)15;13-7-1-2-11(9(14)5-7)18-8-3-4-15-10(6-8)12(16)17;1-13-9-7(3-2-6-12-9)4-5-8(11)10(13)14;1-11-7(10)6-4-5(8)2-3-9-6;7-4-1-2-6(9)5(8)3-4/h3*2-3,5,7-12,17H,4,6H2,1H3,(H,27,29);2-7H,1H3;1-6H,(H,16,17);2-3,6,8H,4-5,11H2,1H3;2-4H,1H3;1-3,9H/t2*17-;;;;;;/m10....../s1.
What are the key properties of 7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one;2,4-difluorophenol;4-(2,4-difluorophenoxy)-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyridine-2-carboxamide;4-(2,4-difluorophenoxy)-N-[(7R)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyridine-2-carboxamide;4-(2,4-difluorophenoxy)-N-(9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl)pyridine-2-carboxamide;4-(2,4-difluorophenoxy)pyridine-2-carboxylic acid;methyl 4-chloropyridine-2-carboxylate;methyl 4-(2,4-difluorophenoxy)pyridine-2-carboxylate?
7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one;2,4-difluorophenol;4-(2,4-difluorophenoxy)-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyridine-2-carboxamide;4-(2,4-difluorophenoxy)-N-[(7R)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyridine-2-carboxamide;4-(2,4-difluorophenoxy)-N-(9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl)pyridine-2-carboxamide;4-(2,4-difluorophenoxy)pyridine-2-carboxylic acid;methyl 4-chloropyridine-2-carboxylate;methyl 4-(2,4-difluorophenoxy)pyridine-2-carboxylate has a molecular weight of 2282.53 g/mol, XLogP of 19.06, 19 rotatable bonds, 6 hydrogen bond donors, and 29 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;2,4-difluorophenol;4-(2,4-difluorophenoxy)-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyridine-2-carboxamide;4-(2,4-difluorophenoxy)-N-[(7R)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]pyridine-2-carboxamide;4-(2,4-difluorophenoxy)-N-(9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl)pyridine-2-carboxamide;4-(2,4-difluorophenoxy)pyridine-2-carboxylic acid;methyl 4-chloropyridine-2-carboxylate;methyl 4-(2,4-difluorophenoxy)pyridine-2-carboxylate is sourced from PubChem (CID 162163546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).