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

C21H15ClF3N9O — CID 171093837

IUPACN-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-methyl-3-(2-methylimidazo[1,2-a]pyridin-5-yl)-4-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1cn2c(-c3nn(C)c(C(=O)Nc4cnc(-n5nccn5)c(Cl)c4)c3C(F)(F)F)cccc2n1
InChIInChI=1S/C21H15ClF3N9O/c1-11-10-33-14(4-3-5-15(33)29-11)17-16(21(23,24)25)18(32(2)31-17)20(35)30-12-8-13(22)19(26-9-12)34-27-6-7-28-34/h3-10H,1-2H3,(H,30,35)
InChIKeyONZFVOYFXNJKRI-UHFFFAOYSA-N
MW501.86 g/mol
LogP3.94
Rot. Bonds4

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

N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-methyl-3-(2-methylimidazo[1,2-a]pyridin-5-yl)-4-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 171093837) has the molecular formula C21H15ClF3N9O and a molecular weight of 501.86 g/mol. Its IUPAC name is N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-methyl-3-(2-methylimidazo[1,2-a]pyridin-5-yl)-4-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-methyl-3-(2-methylimidazo[1,2-a]pyridin-5-yl)-4-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID171093837
Molecular FormulaC21H15ClF3N9O
Molecular Weight501.86 g/mol
Exact Mass501.10
IUPAC NameN-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-methyl-3-(2-methylimidazo[1,2-a]pyridin-5-yl)-4-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1cn2c(-c3nn(C)c(C(=O)Nc4cnc(-n5nccn5)c(Cl)c4)c3C(F)(F)F)cccc2n1
InChIInChI=1S/C21H15ClF3N9O/c1-11-10-33-14(4-3-5-15(33)29-11)17-16(21(23,24)25)18(32(2)31-17)20(35)30-12-8-13(22)19(26-9-12)34-27-6-7-28-34/h3-10H,1-2H3,(H,30,35)
InChIKeyONZFVOYFXNJKRI-UHFFFAOYSA-N
XLogP3.94
TPSA107.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.86
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

1-methyl-3-(1-methylindazol-7-yl)-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide
CID 171093563
CID 171093935
CID 171093935
[6-[4-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamic acid
CID 134610250
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)-1-[3-(trimethyl-λ4-sulfanyl)phenyl]pyrazole-4-carboxamide
CID 153295787
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-isoquinolin-5-yl-5-(trifluoromethyl)triazole-4-carboxamide
CID 166527784
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(5-methyl-3-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285198
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134610069
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(1-methyl-2-oxoquinolin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134610130
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(2-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285371
1-(2-chloro-4-fluoro-3-methylphenyl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285087
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-pyrazolo[1,5-a]pyrazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134609857
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(3,4-difluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285027

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-methyl-3-(2-methylimidazo[1,2-a]pyridin-5-yl)-4-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-methyl-3-(2-methylimidazo[1,2-a]pyridin-5-yl)-4-(trifluoromethyl)pyrazole-5-carboxamide (CID 171093837) is N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-methyl-3-(2-methylimidazo[1,2-a]pyridin-5-yl)-4-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-methyl-3-(2-methylimidazo[1,2-a]pyridin-5-yl)-4-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-methyl-3-(2-methylimidazo[1,2-a]pyridin-5-yl)-4-(trifluoromethyl)pyrazole-5-carboxamide is Cc1cn2c(-c3nn(C)c(C(=O)Nc4cnc(-n5nccn5)c(Cl)c4)c3C(F)(F)F)cccc2n1.
What is the InChIKey of N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-methyl-3-(2-methylimidazo[1,2-a]pyridin-5-yl)-4-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is ONZFVOYFXNJKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3N9O/c1-11-10-33-14(4-3-5-15(33)29-11)17-16(21(23,24)25)18(32(2)31-17)20(35)30-12-8-13(22)19(26-9-12)34-27-6-7-28-34/h3-10H,1-2H3,(H,30,35).
What are the key properties of N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-methyl-3-(2-methylimidazo[1,2-a]pyridin-5-yl)-4-(trifluoromethyl)pyrazole-5-carboxamide?
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-methyl-3-(2-methylimidazo[1,2-a]pyridin-5-yl)-4-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 501.86 g/mol, XLogP of 3.94, 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-(triazol-2-yl)-3-pyridinyl]-1-methyl-3-(2-methylimidazo[1,2-a]pyridin-5-yl)-4-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 171093837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).