N-[(4R)-2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-carboxamide

C20H20F3N7O — CID 177296022

IUPACN-[(4R)-2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-carboxamide
SMILESCn1nc(C(F)(F)F)nc1C(=O)N[C@@H]1CCCn2nc(-c3ccnc(C4CC4)c3)cc21
InChIInChI=1S/C20H20F3N7O/c1-29-17(26-19(28-29)20(21,22)23)18(31)25-13-3-2-8-30-16(13)10-15(27-30)12-6-7-24-14(9-12)11-4-5-11/h6-7,9-11,13H,2-5,8H2,1H3,(H,25,31)/t13-/m1/s1
InChIKeyNRDSOJDNTKIZBH-CYBMUJFWSA-N
MW431.42 g/mol
LogP3.23
Rot. Bonds4

About N-[(4R)-2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-carboxamide

N-[(4R)-2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-carboxamide (PubChem CID 177296022) has the molecular formula C20H20F3N7O and a molecular weight of 431.42 g/mol. Its IUPAC name is N-[(4R)-2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4R)-2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-carboxamide
PubChem CID177296022
Molecular FormulaC20H20F3N7O
Molecular Weight431.42 g/mol
Exact Mass431.17
IUPAC NameN-[(4R)-2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-carboxamide
SMILESCn1nc(C(F)(F)F)nc1C(=O)N[C@@H]1CCCn2nc(-c3ccnc(C4CC4)c3)cc21
InChIInChI=1S/C20H20F3N7O/c1-29-17(26-19(28-29)20(21,22)23)18(31)25-13-3-2-8-30-16(13)10-15(27-30)12-6-7-24-14(9-12)11-4-5-11/h6-7,9-11,13H,2-5,8H2,1H3,(H,25,31)/t13-/m1/s1
InChIKeyNRDSOJDNTKIZBH-CYBMUJFWSA-N
XLogP3.23
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[(4R)-2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-carboxamide (CID 177296022) is N-[(4R)-2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[(4R)-2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[(4R)-2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-carboxamide is Cn1nc(C(F)(F)F)nc1C(=O)N[C@@H]1CCCn2nc(-c3ccnc(C4CC4)c3)cc21.
What is the InChIKey of N-[(4R)-2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is NRDSOJDNTKIZBH-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H20F3N7O/c1-29-17(26-19(28-29)20(21,22)23)18(31)25-13-3-2-8-30-16(13)10-15(27-30)12-6-7-24-14(9-12)11-4-5-11/h6-7,9-11,13H,2-5,8H2,1H3,(H,25,31)/t13-/m1/s1.
What are the key properties of N-[(4R)-2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-carboxamide?
N-[(4R)-2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 431.42 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 177296022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).