N-[5-chloro-6-(triazolo[4,5-b]pyridin-3-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

C24H13ClF3N9O — CID 134609860

IUPACN-[5-chloro-6-(triazolo[4,5-b]pyridin-3-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1cnc(-n2nnc3cccnc32)c(Cl)c1)c1cnn(-c2cccc3ncccc23)c1C(F)(F)F
InChIInChI=1S/C24H13ClF3N9O/c25-16-10-13(11-31-21(16)37-22-18(34-35-37)6-3-9-30-22)33-23(38)15-12-32-36(20(15)24(26,27)28)19-7-1-5-17-14(19)4-2-8-29-17/h1-12H,(H,33,38)
InChIKeyOHXBMLWTWHAXMT-UHFFFAOYSA-N
MW535.88 g/mol
LogP4.87
Rot. Bonds4

About N-[5-chloro-6-(triazolo[4,5-b]pyridin-3-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[5-chloro-6-(triazolo[4,5-b]pyridin-3-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 134609860) has the molecular formula C24H13ClF3N9O and a molecular weight of 535.88 g/mol. Its IUPAC name is N-[5-chloro-6-(triazolo[4,5-b]pyridin-3-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-6-(triazolo[4,5-b]pyridin-3-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID134609860
Molecular FormulaC24H13ClF3N9O
Molecular Weight535.88 g/mol
Exact Mass535.09
IUPAC NameN-[5-chloro-6-(triazolo[4,5-b]pyridin-3-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1cnc(-n2nnc3cccnc32)c(Cl)c1)c1cnn(-c2cccc3ncccc23)c1C(F)(F)F
InChIInChI=1S/C24H13ClF3N9O/c25-16-10-13(11-31-21(16)37-22-18(34-35-37)6-3-9-30-22)33-23(38)15-12-32-36(20(15)24(26,27)28)19-7-1-5-17-14(19)4-2-8-29-17/h1-12H,(H,33,38)
InChIKeyOHXBMLWTWHAXMT-UHFFFAOYSA-N
XLogP4.87
TPSA116.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.88
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-6-(triazolo[4,5-b]pyridin-3-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[5-chloro-6-(triazolo[4,5-b]pyridin-3-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 134609860) is N-[5-chloro-6-(triazolo[4,5-b]pyridin-3-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[5-chloro-6-(triazolo[4,5-b]pyridin-3-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[5-chloro-6-(triazolo[4,5-b]pyridin-3-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(Nc1cnc(-n2nnc3cccnc32)c(Cl)c1)c1cnn(-c2cccc3ncccc23)c1C(F)(F)F.
What is the InChIKey of N-[5-chloro-6-(triazolo[4,5-b]pyridin-3-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is OHXBMLWTWHAXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13ClF3N9O/c25-16-10-13(11-31-21(16)37-22-18(34-35-37)6-3-9-30-22)33-23(38)15-12-32-36(20(15)24(26,27)28)19-7-1-5-17-14(19)4-2-8-29-17/h1-12H,(H,33,38).
What are the key properties of N-[5-chloro-6-(triazolo[4,5-b]pyridin-3-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[5-chloro-6-(triazolo[4,5-b]pyridin-3-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 535.88 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-6-(triazolo[4,5-b]pyridin-3-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 134609860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).