6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-methylquinoline-7-carboxamide

C20H14BrClN6O2 — CID 167472692

IUPAC6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-methylquinoline-7-carboxamide
SMILESCc1c(NC(=O)c2cc(Br)nn2-c2ncccc2Cl)c(C(N)=O)cc2ncccc12
InChIInChI=1S/C20H14BrClN6O2/c1-10-11-4-2-6-24-14(11)8-12(18(23)29)17(10)26-20(30)15-9-16(21)27-28(15)19-13(22)5-3-7-25-19/h2-9H,1H3,(H2,23,29)(H,26,30)
InChIKeyQMIONEBEQHTLIU-UHFFFAOYSA-N
MW485.73 g/mol
LogP3.89
Rot. Bonds4

About 6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-methylquinoline-7-carboxamide

6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-methylquinoline-7-carboxamide (PubChem CID 167472692) has the molecular formula C20H14BrClN6O2 and a molecular weight of 485.73 g/mol. Its IUPAC name is 6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-methylquinoline-7-carboxamide.

Molecular Properties

Compound Name6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-methylquinoline-7-carboxamide
PubChem CID167472692
Molecular FormulaC20H14BrClN6O2
Molecular Weight485.73 g/mol
Exact Mass484.01
IUPAC Name6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-methylquinoline-7-carboxamide
SMILESCc1c(NC(=O)c2cc(Br)nn2-c2ncccc2Cl)c(C(N)=O)cc2ncccc12
InChIInChI=1S/C20H14BrClN6O2/c1-10-11-4-2-6-24-14(11)8-12(18(23)29)17(10)26-20(30)15-9-16(21)27-28(15)19-13(22)5-3-7-25-19/h2-9H,1H3,(H2,23,29)(H,26,30)
InChIKeyQMIONEBEQHTLIU-UHFFFAOYSA-N
XLogP3.89
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.73
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-4-chloroquinoline-2-carboxamide
CID 167472699
3-bromo-N-(2-carbamoyl-4,5-dimethoxyphenyl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 167793226
methyl N-[[2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-4,5-dichloro-3-methylbenzoyl]amino]carbamate
CID 59286905
amino-[4-bromo-3-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]naphthalene-2-carbonyl]azanide;methanol;yttrium
CID 145498201
2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-3,5-dichlorobenzoyl chloride
CID 175324112
N-[4-[2-[bis(prop-2-enyl)amino]-1,1-difluoro-2-oxoethyl]-2-carbamoyl-6-methylphenyl]-3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 168933115
3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-(methoxycarbamoyl)phenyl]pyrazole-5-carboxamide
CID 141466648
[[2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chloro-3-methylbenzoyl]amino]carbamic acid
CID 121248607
3-bromo-2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chlorobenzoyl chloride
CID 175324124
amino-[2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-cyano-3-methylbenzoyl]azanide;dimethylazanide;yttrium
CID 145498242
3-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-2,6-dichloro-N-methylpyridine-4-carboxamide
CID 10141961
3-bromo-1-(3-chloro-2-pyridinyl)-N-(2-cyano-6-methylphenyl)pyrazole-5-carboxamide
CID 71517335

Frequently Asked Questions

What is the IUPAC name of 6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-methylquinoline-7-carboxamide?
The IUPAC name of 6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-methylquinoline-7-carboxamide (CID 167472692) is 6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-methylquinoline-7-carboxamide.
What is the SMILES notation for 6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-methylquinoline-7-carboxamide?
The canonical SMILES for 6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-methylquinoline-7-carboxamide is Cc1c(NC(=O)c2cc(Br)nn2-c2ncccc2Cl)c(C(N)=O)cc2ncccc12.
What is the InChIKey of 6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-methylquinoline-7-carboxamide?
The InChIKey is QMIONEBEQHTLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrClN6O2/c1-10-11-4-2-6-24-14(11)8-12(18(23)29)17(10)26-20(30)15-9-16(21)27-28(15)19-13(22)5-3-7-25-19/h2-9H,1H3,(H2,23,29)(H,26,30).
What are the key properties of 6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-methylquinoline-7-carboxamide?
6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-methylquinoline-7-carboxamide has a molecular weight of 485.73 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-methylquinoline-7-carboxamide is sourced from PubChem (CID 167472692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).