2-chloro-N-[(7S)-4-(3,4-dimethoxybenzoyl)-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide

C25H27ClN4O4 — CID 134278338

IUPAC2-chloro-N-[(7S)-4-(3,4-dimethoxybenzoyl)-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide
SMILESCOc1ccc(C(=O)N2CC[C@H](NC(=O)c3ccccc3Cl)c3c2cnn3C(C)C)cc1OC
InChIInChI=1S/C25H27ClN4O4/c1-15(2)30-23-19(28-24(31)17-7-5-6-8-18(17)26)11-12-29(20(23)14-27-30)25(32)16-9-10-21(33-3)22(13-16)34-4/h5-10,13-15,19H,11-12H2,1-4H3,(H,28,31)/t19-/m0/s1
InChIKeyIRQHLYUJXMBAOL-IBGZPJMESA-N
MW482.97 g/mol
LogP4.66
Rot. Bonds6

About 2-chloro-N-[(7S)-4-(3,4-dimethoxybenzoyl)-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide

2-chloro-N-[(7S)-4-(3,4-dimethoxybenzoyl)-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide (PubChem CID 134278338) has the molecular formula C25H27ClN4O4 and a molecular weight of 482.97 g/mol. Its IUPAC name is 2-chloro-N-[(7S)-4-(3,4-dimethoxybenzoyl)-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(7S)-4-(3,4-dimethoxybenzoyl)-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide
PubChem CID134278338
Molecular FormulaC25H27ClN4O4
Molecular Weight482.97 g/mol
Exact Mass482.17
IUPAC Name2-chloro-N-[(7S)-4-(3,4-dimethoxybenzoyl)-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide
SMILESCOc1ccc(C(=O)N2CC[C@H](NC(=O)c3ccccc3Cl)c3c2cnn3C(C)C)cc1OC
InChIInChI=1S/C25H27ClN4O4/c1-15(2)30-23-19(28-24(31)17-7-5-6-8-18(17)26)11-12-29(20(23)14-27-30)25(32)16-9-10-21(33-3)22(13-16)34-4/h5-10,13-15,19H,11-12H2,1-4H3,(H,28,31)/t19-/m0/s1
InChIKeyIRQHLYUJXMBAOL-IBGZPJMESA-N
XLogP4.66
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.97
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-chlorobenzyl)-1H-pyrazol-4-yl]-3,4-dimethoxybenzamide
CID 4407764
2-chloro-N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide
CID 134278747
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-3,4-dimethoxybenzamide
CID 1244331
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3,4-dimethoxybenzamide
CID 24791056
N-(6,6-dimethyl-1-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-yl)-3,4-dimethoxybenzamide
CID 24817083
3-(4-chlorophenyl)-N-[[1-[(3,4-dimethoxyphenyl)methyl]triazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide
CID 134133847
Tert-butyl 4-(4-{[(2H-1,3-benzodioxol-5-YL)methyl]carbamoyl}-1-(2-chlorophenyl)-1H-pyrazol-5-YL)piperidine-1-carboxylate
CID 16024228
N-cyclopropyl-3-({1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}oxy)-4-methoxybenzamide
CID 24794008
N-{2-[2-(4-Fluorophenyl)-4-oxo-4H,5H-pyrazolo[1,5-A]pyrazin-5-YL]ethyl}-3,4-dimethoxybenzamide
CID 91892661
5-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-N-cyclopropyl-1-(3-methoxybenzyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26229652
4-chloro-N-[2-ethyl-1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]butyl]benzamide
CID 45481556
2-(4-Chlorophenyl)-5-(3,4-dimethoxyphenethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 44589415

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(7S)-4-(3,4-dimethoxybenzoyl)-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide?
The IUPAC name of 2-chloro-N-[(7S)-4-(3,4-dimethoxybenzoyl)-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide (CID 134278338) is 2-chloro-N-[(7S)-4-(3,4-dimethoxybenzoyl)-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(7S)-4-(3,4-dimethoxybenzoyl)-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(7S)-4-(3,4-dimethoxybenzoyl)-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide is COc1ccc(C(=O)N2CC[C@H](NC(=O)c3ccccc3Cl)c3c2cnn3C(C)C)cc1OC.
What is the InChIKey of 2-chloro-N-[(7S)-4-(3,4-dimethoxybenzoyl)-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide?
The InChIKey is IRQHLYUJXMBAOL-IBGZPJMESA-N. The full InChI is InChI=1S/C25H27ClN4O4/c1-15(2)30-23-19(28-24(31)17-7-5-6-8-18(17)26)11-12-29(20(23)14-27-30)25(32)16-9-10-21(33-3)22(13-16)34-4/h5-10,13-15,19H,11-12H2,1-4H3,(H,28,31)/t19-/m0/s1.
What are the key properties of 2-chloro-N-[(7S)-4-(3,4-dimethoxybenzoyl)-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide?
2-chloro-N-[(7S)-4-(3,4-dimethoxybenzoyl)-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide has a molecular weight of 482.97 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(7S)-4-(3,4-dimethoxybenzoyl)-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide is sourced from PubChem (CID 134278338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).