3-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-4-chloroquinoline-2-carboxamide

C19H11BrCl2N6O2 — CID 167472699

IUPAC3-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-4-chloroquinoline-2-carboxamide
SMILESNC(=O)c1nc2ccccc2c(Cl)c1NC(=O)c1cc(Br)nn1-c1ncccc1Cl
InChIInChI=1S/C19H11BrCl2N6O2/c20-13-8-12(28(27-13)18-10(21)5-3-7-24-18)19(30)26-15-14(22)9-4-1-2-6-11(9)25-16(15)17(23)29/h1-8H,(H2,23,29)(H,26,30)
InChIKeyDZMBQPPEHRRKMQ-UHFFFAOYSA-N
MW506.15 g/mol
LogP4.24
Rot. Bonds4

About 3-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-4-chloroquinoline-2-carboxamide

3-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-4-chloroquinoline-2-carboxamide (PubChem CID 167472699) has the molecular formula C19H11BrCl2N6O2 and a molecular weight of 506.15 g/mol. Its IUPAC name is 3-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-4-chloroquinoline-2-carboxamide.

Molecular Properties

Compound Name3-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-4-chloroquinoline-2-carboxamide
PubChem CID167472699
Molecular FormulaC19H11BrCl2N6O2
Molecular Weight506.15 g/mol
Exact Mass503.95
IUPAC Name3-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-4-chloroquinoline-2-carboxamide
SMILESNC(=O)c1nc2ccccc2c(Cl)c1NC(=O)c1cc(Br)nn1-c1ncccc1Cl
InChIInChI=1S/C19H11BrCl2N6O2/c20-13-8-12(28(27-13)18-10(21)5-3-7-24-18)19(30)26-15-14(22)9-4-1-2-6-11(9)25-16(15)17(23)29/h1-8H,(H2,23,29)(H,26,30)
InChIKeyDZMBQPPEHRRKMQ-UHFFFAOYSA-N
XLogP4.24
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.15
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-3-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]quinoline-2-carboxamide
CID 167472651
6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-methylquinoline-7-carboxamide
CID 167472692
amino-[4-bromo-3-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]naphthalene-2-carbonyl]azanide;methanol;yttrium
CID 145498201
3-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-2,6-dichloro-N-methylpyridine-4-carboxamide
CID 10141961
3-bromo-N-(2-carbamoyl-4,5-dimethoxyphenyl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 167793226
2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-3,5-dichlorobenzoyl chloride
CID 175324112
3-bromo-2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chlorobenzoyl chloride
CID 175324124
methyl N-[[4-bromo-3-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]naphthalene-2-carbonyl]amino]carbamate
CID 59286816
N-[2-[[2-(benzylamino)-2-oxoethoxy]carbamoyl]-4,6-dichlorophenyl]-3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 71514344
[[2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chloro-3-methylbenzoyl]amino]carbamic acid
CID 121248607
3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-(methoxycarbamoyl)phenyl]pyrazole-5-carboxamide
CID 141466648
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 3-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-4-chloroquinoline-2-carboxamide?
The IUPAC name of 3-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-4-chloroquinoline-2-carboxamide (CID 167472699) is 3-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-4-chloroquinoline-2-carboxamide.
What is the SMILES notation for 3-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-4-chloroquinoline-2-carboxamide?
The canonical SMILES for 3-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-4-chloroquinoline-2-carboxamide is NC(=O)c1nc2ccccc2c(Cl)c1NC(=O)c1cc(Br)nn1-c1ncccc1Cl.
What is the InChIKey of 3-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-4-chloroquinoline-2-carboxamide?
The InChIKey is DZMBQPPEHRRKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11BrCl2N6O2/c20-13-8-12(28(27-13)18-10(21)5-3-7-24-18)19(30)26-15-14(22)9-4-1-2-6-11(9)25-16(15)17(23)29/h1-8H,(H2,23,29)(H,26,30).
What are the key properties of 3-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-4-chloroquinoline-2-carboxamide?
3-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-4-chloroquinoline-2-carboxamide has a molecular weight of 506.15 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-4-chloroquinoline-2-carboxamide is sourced from PubChem (CID 167472699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).