1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide

C21H19F3N8O — CID 90383495

IUPAC1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide
SMILESCn1ncc(-c2cccc(C(F)(F)F)n2)c1C(=O)Nc1ccn2nc(N3CCCC3)nc2c1
InChIInChI=1S/C21H19F3N8O/c1-30-18(14(12-25-30)15-5-4-6-16(27-15)21(22,23)24)19(33)26-13-7-10-32-17(11-13)28-20(29-32)31-8-2-3-9-31/h4-7,10-12H,2-3,8-9H2,1H3,(H,26,33)
InChIKeyIAMHRPZVTBCXGP-UHFFFAOYSA-N
MW456.43 g/mol
LogP3.40
Rot. Bonds4

About 1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide

1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide (PubChem CID 90383495) has the molecular formula C21H19F3N8O and a molecular weight of 456.43 g/mol. Its IUPAC name is 1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide
PubChem CID90383495
Molecular FormulaC21H19F3N8O
Molecular Weight456.43 g/mol
Exact Mass456.16
IUPAC Name1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide
SMILESCn1ncc(-c2cccc(C(F)(F)F)n2)c1C(=O)Nc1ccn2nc(N3CCCC3)nc2c1
InChIInChI=1S/C21H19F3N8O/c1-30-18(14(12-25-30)15-5-4-6-16(27-15)21(22,23)24)19(33)26-13-7-10-32-17(11-13)28-20(29-32)31-8-2-3-9-31/h4-7,10-12H,2-3,8-9H2,1H3,(H,26,33)
InChIKeyIAMHRPZVTBCXGP-UHFFFAOYSA-N
XLogP3.40
TPSA93.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide (CID 90383495) is 1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide is Cn1ncc(-c2cccc(C(F)(F)F)n2)c1C(=O)Nc1ccn2nc(N3CCCC3)nc2c1.
What is the InChIKey of 1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide?
The InChIKey is IAMHRPZVTBCXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N8O/c1-30-18(14(12-25-30)15-5-4-6-16(27-15)21(22,23)24)19(33)26-13-7-10-32-17(11-13)28-20(29-32)31-8-2-3-9-31/h4-7,10-12H,2-3,8-9H2,1H3,(H,26,33).
What are the key properties of 1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide?
1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide has a molecular weight of 456.43 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide is sourced from PubChem (CID 90383495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).