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

C24H22Cl2F3N5O3 — CID 134278636

IUPAC4-chloro-N-[4-(5-chloro-6-methoxypyridine-3-carbonyl)-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)benzamide
SMILESCOc1ncc(C(=O)N2CCC(NC(=O)c3ccc(Cl)cc3C(F)(F)F)c3c2cnn3C(C)C)cc1Cl
InChIInChI=1S/C24H22Cl2F3N5O3/c1-12(2)34-20-18(32-21(35)15-5-4-14(25)9-16(15)24(27,28)29)6-7-33(19(20)11-31-34)23(36)13-8-17(26)22(37-3)30-10-13/h4-5,8-12,18H,6-7H2,1-3H3,(H,32,35)
InChIKeyZXKIXHIRORZGPD-UHFFFAOYSA-N
MW556.37 g/mol
LogP5.71
Rot. Bonds5

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

4-chloro-N-[4-(5-chloro-6-methoxypyridine-3-carbonyl)-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)benzamide (PubChem CID 134278636) has the molecular formula C24H22Cl2F3N5O3 and a molecular weight of 556.37 g/mol. Its IUPAC name is 4-chloro-N-[4-(5-chloro-6-methoxypyridine-3-carbonyl)-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(5-chloro-6-methoxypyridine-3-carbonyl)-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)benzamide
PubChem CID134278636
Molecular FormulaC24H22Cl2F3N5O3
Molecular Weight556.37 g/mol
Exact Mass555.11
IUPAC Name4-chloro-N-[4-(5-chloro-6-methoxypyridine-3-carbonyl)-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)benzamide
SMILESCOc1ncc(C(=O)N2CCC(NC(=O)c3ccc(Cl)cc3C(F)(F)F)c3c2cnn3C(C)C)cc1Cl
InChIInChI=1S/C24H22Cl2F3N5O3/c1-12(2)34-20-18(32-21(35)15-5-4-14(25)9-16(15)24(27,28)29)6-7-33(19(20)11-31-34)23(36)13-8-17(26)22(37-3)30-10-13/h4-5,8-12,18H,6-7H2,1-3H3,(H,32,35)
InChIKeyZXKIXHIRORZGPD-UHFFFAOYSA-N
XLogP5.71
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.37
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-[4-(5-chloro-6-methoxypyridine-3-carbonyl)-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)benzamide with MolForge

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Related Compounds

N-[(7S)-4-[6-(difluoromethoxy)-5-methoxypyridine-3-carbonyl]-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethoxy)benzamide
CID 134278656
2-chloro-N-[1-methyl-4-[6-(trifluoromethyl)pyridine-3-carbonyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide
CID 134278902
2-chloro-N-[4-(2-methoxypyridine-4-carbonyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide
CID 134278343
2-chloro-N-[1-methyl-4-(3,4,5-trifluorobenzoyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide
CID 134278405
N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-fluorobenzamide
CID 134278979
N-[7-chloro-1-(3,4-dimethoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 134278288
N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-3-(trifluoromethyl)benzamide
CID 134278968
2-chloro-N-[7-chloro-1-(4-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide
CID 134278889
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
N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-1,3-thiazole-2-carboxamide
CID 134278366
2-chloro-N-[1-methyl-4-(3-methylsulfonylbenzoyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide
CID 134278941
2-chloro-N-[4-(3,4-dimethoxybenzoyl)-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl]benzamide
CID 134278359

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(5-chloro-6-methoxypyridine-3-carbonyl)-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-chloro-N-[4-(5-chloro-6-methoxypyridine-3-carbonyl)-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)benzamide (CID 134278636) is 4-chloro-N-[4-(5-chloro-6-methoxypyridine-3-carbonyl)-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-chloro-N-[4-(5-chloro-6-methoxypyridine-3-carbonyl)-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-chloro-N-[4-(5-chloro-6-methoxypyridine-3-carbonyl)-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)benzamide is COc1ncc(C(=O)N2CCC(NC(=O)c3ccc(Cl)cc3C(F)(F)F)c3c2cnn3C(C)C)cc1Cl.
What is the InChIKey of 4-chloro-N-[4-(5-chloro-6-methoxypyridine-3-carbonyl)-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is ZXKIXHIRORZGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2F3N5O3/c1-12(2)34-20-18(32-21(35)15-5-4-14(25)9-16(15)24(27,28)29)6-7-33(19(20)11-31-34)23(36)13-8-17(26)22(37-3)30-10-13/h4-5,8-12,18H,6-7H2,1-3H3,(H,32,35).
What are the key properties of 4-chloro-N-[4-(5-chloro-6-methoxypyridine-3-carbonyl)-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)benzamide?
4-chloro-N-[4-(5-chloro-6-methoxypyridine-3-carbonyl)-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 556.37 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(5-chloro-6-methoxypyridine-3-carbonyl)-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 134278636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).