(7R)-7-methyl-N-[(7S)-5-methyl-6-oxo-8,9-dihydro-7H-pyrido[3,2-b]azepin-7-yl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide

C17H20N6O2 — CID 166668000

IUPAC(7R)-7-methyl-N-[(7S)-5-methyl-6-oxo-8,9-dihydro-7H-pyrido[3,2-b]azepin-7-yl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide
SMILESC[C@@H]1CCn2nc(C(=O)N[C@H]3CCc4ncccc4N(C)C3=O)nc21
InChIInChI=1S/C17H20N6O2/c1-10-7-9-23-15(10)20-14(21-23)16(24)19-12-6-5-11-13(4-3-8-18-11)22(2)17(12)25/h3-4,8,10,12H,5-7,9H2,1-2H3,(H,19,24)/t10-,12+/m1/s1
InChIKeyLNDCUROIJULETF-PWSUYJOCSA-N
MW340.39 g/mol
LogP0.89
Rot. Bonds2

About (7R)-7-methyl-N-[(7S)-5-methyl-6-oxo-8,9-dihydro-7H-pyrido[3,2-b]azepin-7-yl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide

(7R)-7-methyl-N-[(7S)-5-methyl-6-oxo-8,9-dihydro-7H-pyrido[3,2-b]azepin-7-yl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide (PubChem CID 166668000) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is (7R)-7-methyl-N-[(7S)-5-methyl-6-oxo-8,9-dihydro-7H-pyrido[3,2-b]azepin-7-yl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide.

Molecular Properties

Compound Name(7R)-7-methyl-N-[(7S)-5-methyl-6-oxo-8,9-dihydro-7H-pyrido[3,2-b]azepin-7-yl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide
PubChem CID166668000
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name(7R)-7-methyl-N-[(7S)-5-methyl-6-oxo-8,9-dihydro-7H-pyrido[3,2-b]azepin-7-yl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide
SMILESC[C@@H]1CCn2nc(C(=O)N[C@H]3CCc4ncccc4N(C)C3=O)nc21
InChIInChI=1S/C17H20N6O2/c1-10-7-9-23-15(10)20-14(21-23)16(24)19-12-6-5-11-13(4-3-8-18-11)22(2)17(12)25/h3-4,8,10,12H,5-7,9H2,1-2H3,(H,19,24)/t10-,12+/m1/s1
InChIKeyLNDCUROIJULETF-PWSUYJOCSA-N
XLogP0.89
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (7R)-7-methyl-N-[(7S)-5-methyl-6-oxo-8,9-dihydro-7H-pyrido[3,2-b]azepin-7-yl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-bromo-3-[(2-chlorobenzoyl)amino]-N-(5-methyl-6-oxo-8,9-dihydro-7H-pyrido[3,2-b]azepin-7-yl)-1H-pyrazole-5-carboxamide
CID 59773539
(7S)-7-(2-fluorophenyl)-N-[(6S)-4-methyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide
CID 134607436
7-azido-5-methyl-8,9-dihydro-7H-pyrido[3,2-b]azepin-6-one
CID 59773620
2,3-dihydroxy-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide
CID 114344484
(5S)-N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)-5-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
CID 156678091
5-benzyl-N-[(3S,5S)-1,5-dimethyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
CID 130317284
N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxamide
CID 175130025
4-hydroxy-2-methyl-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide
CID 107671606
4-bromo-N-(1-methyl-2,6-dioxopiperidin-3-yl)-2-sulfanylbenzamide
CID 107031626
N-[(3S)-2,6-dioxopiperidin-3-yl]pyrimidine-2-carboxamide
CID 156797860
5-benzyl-N-[(6R)-3,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(6S)-3,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1H-1,2,4-triazole-3-carboxamide
CID 160726513
N-[(6R)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-5-[(4-methylphenyl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 149193231

Frequently Asked Questions

What is the IUPAC name of (7R)-7-methyl-N-[(7S)-5-methyl-6-oxo-8,9-dihydro-7H-pyrido[3,2-b]azepin-7-yl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide?
The IUPAC name of (7R)-7-methyl-N-[(7S)-5-methyl-6-oxo-8,9-dihydro-7H-pyrido[3,2-b]azepin-7-yl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide (CID 166668000) is (7R)-7-methyl-N-[(7S)-5-methyl-6-oxo-8,9-dihydro-7H-pyrido[3,2-b]azepin-7-yl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide.
What is the SMILES notation for (7R)-7-methyl-N-[(7S)-5-methyl-6-oxo-8,9-dihydro-7H-pyrido[3,2-b]azepin-7-yl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide?
The canonical SMILES for (7R)-7-methyl-N-[(7S)-5-methyl-6-oxo-8,9-dihydro-7H-pyrido[3,2-b]azepin-7-yl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide is C[C@@H]1CCn2nc(C(=O)N[C@H]3CCc4ncccc4N(C)C3=O)nc21.
What is the InChIKey of (7R)-7-methyl-N-[(7S)-5-methyl-6-oxo-8,9-dihydro-7H-pyrido[3,2-b]azepin-7-yl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide?
The InChIKey is LNDCUROIJULETF-PWSUYJOCSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-10-7-9-23-15(10)20-14(21-23)16(24)19-12-6-5-11-13(4-3-8-18-11)22(2)17(12)25/h3-4,8,10,12H,5-7,9H2,1-2H3,(H,19,24)/t10-,12+/m1/s1.
What are the key properties of (7R)-7-methyl-N-[(7S)-5-methyl-6-oxo-8,9-dihydro-7H-pyrido[3,2-b]azepin-7-yl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide?
(7R)-7-methyl-N-[(7S)-5-methyl-6-oxo-8,9-dihydro-7H-pyrido[3,2-b]azepin-7-yl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-methyl-N-[(7S)-5-methyl-6-oxo-8,9-dihydro-7H-pyrido[3,2-b]azepin-7-yl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide is sourced from PubChem (CID 166668000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).