3-(imidazo[1,2-a]pyridine-2-carbonyl)-9-methoxy-N-methyl-7-oxo-N-(thiophen-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide

C25H25N5O4S — CID 42382918

IUPAC3-(imidazo[1,2-a]pyridine-2-carbonyl)-9-methoxy-N-methyl-7-oxo-N-(thiophen-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
SMILESCOc1cc(=O)n2c(c1C(=O)N(C)Cc1ccsc1)CCN(C(=O)c1cn3ccccc3n1)CC2
InChIInChI=1S/C25H25N5O4S/c1-27(14-17-7-12-35-16-17)25(33)23-19-6-9-28(10-11-30(19)22(31)13-20(23)34-2)24(32)18-15-29-8-4-3-5-21(29)26-18/h3-5,7-8,12-13,15-16H,6,9-11,14H2,1-2H3
InChIKeySJJNASJKSTVZMW-UHFFFAOYSA-N
MW491.57 g/mol
LogP2.54
Rot. Bonds5

About 3-(imidazo[1,2-a]pyridine-2-carbonyl)-9-methoxy-N-methyl-7-oxo-N-(thiophen-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide

3-(imidazo[1,2-a]pyridine-2-carbonyl)-9-methoxy-N-methyl-7-oxo-N-(thiophen-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide (PubChem CID 42382918) has the molecular formula C25H25N5O4S and a molecular weight of 491.57 g/mol. Its IUPAC name is 3-(imidazo[1,2-a]pyridine-2-carbonyl)-9-methoxy-N-methyl-7-oxo-N-(thiophen-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide.

Molecular Properties

Compound Name3-(imidazo[1,2-a]pyridine-2-carbonyl)-9-methoxy-N-methyl-7-oxo-N-(thiophen-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
PubChem CID42382918
Molecular FormulaC25H25N5O4S
Molecular Weight491.57 g/mol
Exact Mass491.16
IUPAC Name3-(imidazo[1,2-a]pyridine-2-carbonyl)-9-methoxy-N-methyl-7-oxo-N-(thiophen-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
SMILESCOc1cc(=O)n2c(c1C(=O)N(C)Cc1ccsc1)CCN(C(=O)c1cn3ccccc3n1)CC2
InChIInChI=1S/C25H25N5O4S/c1-27(14-17-7-12-35-16-17)25(33)23-19-6-9-28(10-11-30(19)22(31)13-20(23)34-2)24(32)18-15-29-8-4-3-5-21(29)26-18/h3-5,7-8,12-13,15-16H,6,9-11,14H2,1-2H3
InChIKeySJJNASJKSTVZMW-UHFFFAOYSA-N
XLogP2.54
TPSA89.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(imidazo[1,2-a]pyridine-2-carbonyl)-9-methoxy-N-methyl-7-oxo-N-(thiophen-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide with MolForge

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Related Compounds

9-methoxy-N-methyl-3-[3-(4-methylphenyl)propanoyl]-7-oxo-N-(thiophen-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 42380118
3-(2,4-dimethylbenzoyl)-9-methoxy-N-methyl-7-oxo-N-(1,3-thiazol-4-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 42376812
9-methoxy-N-methyl-3-[2-(3-methylphenyl)acetyl]-7-oxo-N-(1,3-thiazol-4-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 42500815
9-methoxy-N-[(2-methoxyphenyl)methyl]-7-oxo-3-(thiophen-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 31015936
9-methoxy-7-oxo-3-[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]-N-(thiophen-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 26274520
1-(imidazo[1,2-a]pyridine-2-carbonyl)-4-(naphthalen-2-ylmethyl)-1,4-diazepan-5-one
CID 26400042
10-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-9-methoxy-3-(1,2,5-thiadiazole-3-carbonyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepin-7-one
CID 42319780
3-[(2,4-dimethylphenyl)methyl]-9-methoxy-N-methyl-7-oxo-N-(1,3-thiazol-4-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 30852325
9-methoxy-3-[2-(1-methylpyrrol-3-yl)acetyl]-10-(thiomorpholine-4-carbonyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepin-7-one
CID 126467242
9-methoxy-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-(naphthalen-1-ylmethyl)-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 28955554
3-hydroxy-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 79673638
N-[(1R)-1-(furan-2-yl)ethyl]-9-methoxy-N-methyl-3-(2-methylbenzoyl)-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 42163698

Frequently Asked Questions

What is the IUPAC name of 3-(imidazo[1,2-a]pyridine-2-carbonyl)-9-methoxy-N-methyl-7-oxo-N-(thiophen-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide?
The IUPAC name of 3-(imidazo[1,2-a]pyridine-2-carbonyl)-9-methoxy-N-methyl-7-oxo-N-(thiophen-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide (CID 42382918) is 3-(imidazo[1,2-a]pyridine-2-carbonyl)-9-methoxy-N-methyl-7-oxo-N-(thiophen-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide.
What is the SMILES notation for 3-(imidazo[1,2-a]pyridine-2-carbonyl)-9-methoxy-N-methyl-7-oxo-N-(thiophen-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide?
The canonical SMILES for 3-(imidazo[1,2-a]pyridine-2-carbonyl)-9-methoxy-N-methyl-7-oxo-N-(thiophen-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide is COc1cc(=O)n2c(c1C(=O)N(C)Cc1ccsc1)CCN(C(=O)c1cn3ccccc3n1)CC2.
What is the InChIKey of 3-(imidazo[1,2-a]pyridine-2-carbonyl)-9-methoxy-N-methyl-7-oxo-N-(thiophen-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide?
The InChIKey is SJJNASJKSTVZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4S/c1-27(14-17-7-12-35-16-17)25(33)23-19-6-9-28(10-11-30(19)22(31)13-20(23)34-2)24(32)18-15-29-8-4-3-5-21(29)26-18/h3-5,7-8,12-13,15-16H,6,9-11,14H2,1-2H3.
What are the key properties of 3-(imidazo[1,2-a]pyridine-2-carbonyl)-9-methoxy-N-methyl-7-oxo-N-(thiophen-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide?
3-(imidazo[1,2-a]pyridine-2-carbonyl)-9-methoxy-N-methyl-7-oxo-N-(thiophen-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide has a molecular weight of 491.57 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazo[1,2-a]pyridine-2-carbonyl)-9-methoxy-N-methyl-7-oxo-N-(thiophen-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide is sourced from PubChem (CID 42382918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).