N-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C20H12ClF4N9O — CID 134609749

IUPACN-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1nc(-n2nccn2)c(Cl)cc1NC(=O)c1cnn(-c2ccc(F)c3nccn23)c1C(F)(F)F
InChIInChI=1S/C20H12ClF4N9O/c1-10-14(8-12(21)17(30-10)34-27-4-5-28-34)31-19(35)11-9-29-33(16(11)20(23,24)25)15-3-2-13(22)18-26-6-7-32(15)18/h2-9H,1H3,(H,31,35)
InChIKeyJBTMWCIZZMDWCE-UHFFFAOYSA-N
MW505.82 g/mol
LogP3.87
Rot. Bonds4

About N-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 134609749) has the molecular formula C20H12ClF4N9O and a molecular weight of 505.82 g/mol. Its IUPAC name is N-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID134609749
Molecular FormulaC20H12ClF4N9O
Molecular Weight505.82 g/mol
Exact Mass505.08
IUPAC NameN-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1nc(-n2nccn2)c(Cl)cc1NC(=O)c1cnn(-c2ccc(F)c3nccn23)c1C(F)(F)F
InChIInChI=1S/C20H12ClF4N9O/c1-10-14(8-12(21)17(30-10)34-27-4-5-28-34)31-19(35)11-9-29-33(16(11)20(23,24)25)15-3-2-13(22)18-26-6-7-32(15)18/h2-9H,1H3,(H,31,35)
InChIKeyJBTMWCIZZMDWCE-UHFFFAOYSA-N
XLogP3.87
TPSA107.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.82
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 134609749) is N-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is Cc1nc(-n2nccn2)c(Cl)cc1NC(=O)c1cnn(-c2ccc(F)c3nccn23)c1C(F)(F)F.
What is the InChIKey of N-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is JBTMWCIZZMDWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF4N9O/c1-10-14(8-12(21)17(30-10)34-27-4-5-28-34)31-19(35)11-9-29-33(16(11)20(23,24)25)15-3-2-13(22)18-26-6-7-32(15)18/h2-9H,1H3,(H,31,35).
What are the key properties of N-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 505.82 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 134609749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).