6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chloro-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyridine-7-carboxamide

C19H11BrCl2F3N7O2 — CID 155227217

IUPAC6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chloro-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyridine-7-carboxamide
SMILESO=C(Nc1c(Cl)cc2ccnn2c1C(=O)NCC(F)(F)F)c1cc(Br)nn1-c1ncccc1Cl
InChIInChI=1S/C19H11BrCl2F3N7O2/c20-13-7-12(32(30-13)16-10(21)2-1-4-26-16)17(33)29-14-11(22)6-9-3-5-28-31(9)15(14)18(34)27-8-19(23,24)25/h1-7H,8H2,(H,27,34)(H,29,33)
InChIKeyUTLVAMZSCIKKLK-UHFFFAOYSA-N
MW577.15 g/mol
LogP4.53
Rot. Bonds5

About 6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chloro-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyridine-7-carboxamide

6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chloro-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyridine-7-carboxamide (PubChem CID 155227217) has the molecular formula C19H11BrCl2F3N7O2 and a molecular weight of 577.15 g/mol. Its IUPAC name is 6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chloro-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chloro-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyridine-7-carboxamide
PubChem CID155227217
Molecular FormulaC19H11BrCl2F3N7O2
Molecular Weight577.15 g/mol
Exact Mass574.95
IUPAC Name6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chloro-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyridine-7-carboxamide
SMILESO=C(Nc1c(Cl)cc2ccnn2c1C(=O)NCC(F)(F)F)c1cc(Br)nn1-c1ncccc1Cl
InChIInChI=1S/C19H11BrCl2F3N7O2/c20-13-7-12(32(30-13)16-10(21)2-1-4-26-16)17(33)29-14-11(22)6-9-3-5-28-31(9)15(14)18(34)27-8-19(23,24)25/h1-7H,8H2,(H,27,34)(H,29,33)
InChIKeyUTLVAMZSCIKKLK-UHFFFAOYSA-N
XLogP4.53
TPSA106.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.15
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 155227053
6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-N,5-dimethylpyrazolo[1,5-a]pyridine-7-carboxamide
CID 142609300
2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-3,5-dichlorobenzoyl chloride
CID 175324112
6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-N-ethoxy-5-methylpyrazolo[1,5-a]pyridine-7-carboxamide
CID 155227083
6-[[1-(3-chloro-2-pyridinyl)-3-(3,3-difluoroazetidin-1-yl)pyrazole-5-carbonyl]amino]-5-methyl-N-prop-2-enylpyrazolo[1,5-a]pyridine-7-carboxamide
CID 139371617
3-bromo-2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chlorobenzoyl chloride
CID 175324124
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-[2,4-dichloro-6-[hydroxy(methylamino)methyl]phenyl]pyrazole-5-carboxamide
CID 163577544
ethyl N-[2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-3,5-dichlorophenyl]carbamate
CID 140670356
2-bromoethyl N-[2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-3,5-dichlorophenyl]carbamate
CID 140670367
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CID 162716008
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CID 66601493

Frequently Asked Questions

What is the IUPAC name of 6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chloro-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of 6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chloro-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyridine-7-carboxamide (CID 155227217) is 6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chloro-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for 6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chloro-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for 6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chloro-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyridine-7-carboxamide is O=C(Nc1c(Cl)cc2ccnn2c1C(=O)NCC(F)(F)F)c1cc(Br)nn1-c1ncccc1Cl.
What is the InChIKey of 6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chloro-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyridine-7-carboxamide?
The InChIKey is UTLVAMZSCIKKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11BrCl2F3N7O2/c20-13-7-12(32(30-13)16-10(21)2-1-4-26-16)17(33)29-14-11(22)6-9-3-5-28-31(9)15(14)18(34)27-8-19(23,24)25/h1-7H,8H2,(H,27,34)(H,29,33).
What are the key properties of 6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chloro-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyridine-7-carboxamide?
6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chloro-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyridine-7-carboxamide has a molecular weight of 577.15 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 7 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-chloro-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 155227217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).