2-chloro-N-[1-[3-(3-chloro-4-methoxybenzoyl)cyclopentyl]-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl]benzamide

C26H26Cl2N4O3 — CID 134278961

IUPAC2-chloro-N-[1-[3-(3-chloro-4-methoxybenzoyl)cyclopentyl]-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl]benzamide
SMILESCOc1ccc(C(=O)C2CCC(n3ncc4c3C(NC(=O)c3ccccc3Cl)CCN4)C2)cc1Cl
InChIInChI=1S/C26H26Cl2N4O3/c1-35-23-9-7-16(13-20(23)28)25(33)15-6-8-17(12-15)32-24-21(10-11-29-22(24)14-30-32)31-26(34)18-4-2-3-5-19(18)27/h2-5,7,9,13-15,17,21,29H,6,8,10-12H2,1H3,(H,31,34)
InChIKeyDQOGVUHTYNNDBR-UHFFFAOYSA-N
MW513.43 g/mol
LogP5.71
Rot. Bonds6

About 2-chloro-N-[1-[3-(3-chloro-4-methoxybenzoyl)cyclopentyl]-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl]benzamide

2-chloro-N-[1-[3-(3-chloro-4-methoxybenzoyl)cyclopentyl]-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl]benzamide (PubChem CID 134278961) has the molecular formula C26H26Cl2N4O3 and a molecular weight of 513.43 g/mol. Its IUPAC name is 2-chloro-N-[1-[3-(3-chloro-4-methoxybenzoyl)cyclopentyl]-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[3-(3-chloro-4-methoxybenzoyl)cyclopentyl]-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl]benzamide
PubChem CID134278961
Molecular FormulaC26H26Cl2N4O3
Molecular Weight513.43 g/mol
Exact Mass512.14
IUPAC Name2-chloro-N-[1-[3-(3-chloro-4-methoxybenzoyl)cyclopentyl]-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl]benzamide
SMILESCOc1ccc(C(=O)C2CCC(n3ncc4c3C(NC(=O)c3ccccc3Cl)CCN4)C2)cc1Cl
InChIInChI=1S/C26H26Cl2N4O3/c1-35-23-9-7-16(13-20(23)28)25(33)15-6-8-17(12-15)32-24-21(10-11-29-22(24)14-30-32)31-26(34)18-4-2-3-5-19(18)27/h2-5,7,9,13-15,17,21,29H,6,8,10-12H2,1H3,(H,31,34)
InChIKeyDQOGVUHTYNNDBR-UHFFFAOYSA-N
XLogP5.71
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.43
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[4-(3-chloro-4-methoxybenzoyl)-1-cyclopentyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide
CID 134278958
(3-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone
CID 106892546
2-chloro-N-[4-(3,4-dimethoxybenzoyl)-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl]benzamide
CID 134278359
(3-chloro-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107126417
1-(3-chloro-4-methoxyphenyl)-3-pyridin-3-ylpropane-1,3-dione
CID 58626094
2-chloro-N-[4-(3,4-dimethoxybenzoyl)-1-[(3-methyloxetan-3-yl)methyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide
CID 134278759
2-chloro-N-[4-(2-methoxypyridine-4-carbonyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide
CID 134278343
3-chloro-N-cyclohexyl-4-methoxybenzamide
CID 56923251
(4-chloro-3-methoxyphenyl)-cyclopropylmethanone
CID 79700352
N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-fluorobenzamide
CID 134278979
2-methoxy-N-(4-pyrazol-1-ylcyclohexyl)benzamide
CID 126855667
2-chloro-N-[(3R,4S)-1-(3,4-dimethoxybenzoyl)-3-(2-methylpyrazol-3-yl)piperidin-4-yl]benzamide
CID 134278472

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[3-(3-chloro-4-methoxybenzoyl)cyclopentyl]-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-[3-(3-chloro-4-methoxybenzoyl)cyclopentyl]-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl]benzamide (CID 134278961) is 2-chloro-N-[1-[3-(3-chloro-4-methoxybenzoyl)cyclopentyl]-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-[3-(3-chloro-4-methoxybenzoyl)cyclopentyl]-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-[3-(3-chloro-4-methoxybenzoyl)cyclopentyl]-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl]benzamide is COc1ccc(C(=O)C2CCC(n3ncc4c3C(NC(=O)c3ccccc3Cl)CCN4)C2)cc1Cl.
What is the InChIKey of 2-chloro-N-[1-[3-(3-chloro-4-methoxybenzoyl)cyclopentyl]-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl]benzamide?
The InChIKey is DQOGVUHTYNNDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N4O3/c1-35-23-9-7-16(13-20(23)28)25(33)15-6-8-17(12-15)32-24-21(10-11-29-22(24)14-30-32)31-26(34)18-4-2-3-5-19(18)27/h2-5,7,9,13-15,17,21,29H,6,8,10-12H2,1H3,(H,31,34).
What are the key properties of 2-chloro-N-[1-[3-(3-chloro-4-methoxybenzoyl)cyclopentyl]-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl]benzamide?
2-chloro-N-[1-[3-(3-chloro-4-methoxybenzoyl)cyclopentyl]-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl]benzamide has a molecular weight of 513.43 g/mol, XLogP of 5.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[3-(3-chloro-4-methoxybenzoyl)cyclopentyl]-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl]benzamide is sourced from PubChem (CID 134278961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).