5-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-N-(4-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide

C23H21ClN6O3 — CID 131697421

IUPAC5-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-N-(4-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn3c2CN(C(=O)c2cn4cc(Cl)ccc4n2)CCC3)cc1
InChIInChI=1S/C23H21ClN6O3/c1-33-17-6-4-16(5-7-17)26-22(31)18-11-25-30-10-2-9-28(14-20(18)30)23(32)19-13-29-12-15(24)3-8-21(29)27-19/h3-8,11-13H,2,9-10,14H2,1H3,(H,26,31)
InChIKeyXSMPTGWKUZVEPA-UHFFFAOYSA-N
MW464.91 g/mol
LogP3.49
Rot. Bonds4

About 5-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-N-(4-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide

5-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-N-(4-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide (PubChem CID 131697421) has the molecular formula C23H21ClN6O3 and a molecular weight of 464.91 g/mol. Its IUPAC name is 5-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-N-(4-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide.

Molecular Properties

Compound Name5-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-N-(4-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide
PubChem CID131697421
Molecular FormulaC23H21ClN6O3
Molecular Weight464.91 g/mol
Exact Mass464.14
IUPAC Name5-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-N-(4-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn3c2CN(C(=O)c2cn4cc(Cl)ccc4n2)CCC3)cc1
InChIInChI=1S/C23H21ClN6O3/c1-33-17-6-4-16(5-7-17)26-22(31)18-11-25-30-10-2-9-28(14-20(18)30)23(32)19-13-29-12-15(24)3-8-21(29)27-19/h3-8,11-13H,2,9-10,14H2,1H3,(H,26,31)
InChIKeyXSMPTGWKUZVEPA-UHFFFAOYSA-N
XLogP3.49
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.91
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-N-(4-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide with MolForge

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Related Compounds

N-(4-methoxyphenyl)-5-(4-methylthiophene-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide
CID 131697416
methyl 4-[(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)amino]benzoate
CID 42536775
N-phenyl-5-(1H-pyrazole-5-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide
CID 131686422
N-(4-chlorophenyl)-6-(3-methoxyphenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42690070
ethyl 4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazine-1-carboxylate
CID 42536529
6-chloro-N-[(4-methoxyphenyl)methylideneamino]imidazo[1,2-a]pyridine-2-carboxamide
CID 171137660
N-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1H-pyrazole-4-carboxamide
CID 4063626
5-(3-acetyl-1H-pyrazole-5-carbonyl)-N-(3-fluorophenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide
CID 131696756
(6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 56900534
N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 167954437
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-methoxyaniline
CID 78912735
2-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-N-(4-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 46044700

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-N-(4-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide?
The IUPAC name of 5-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-N-(4-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide (CID 131697421) is 5-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-N-(4-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide.
What is the SMILES notation for 5-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-N-(4-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide?
The canonical SMILES for 5-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-N-(4-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide is COc1ccc(NC(=O)c2cnn3c2CN(C(=O)c2cn4cc(Cl)ccc4n2)CCC3)cc1.
What is the InChIKey of 5-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-N-(4-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide?
The InChIKey is XSMPTGWKUZVEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6O3/c1-33-17-6-4-16(5-7-17)26-22(31)18-11-25-30-10-2-9-28(14-20(18)30)23(32)19-13-29-12-15(24)3-8-21(29)27-19/h3-8,11-13H,2,9-10,14H2,1H3,(H,26,31).
What are the key properties of 5-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-N-(4-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide?
5-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-N-(4-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide has a molecular weight of 464.91 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-N-(4-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide is sourced from PubChem (CID 131697421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).