N-[(4S)-2-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C21H23F3N6O2 — CID 177051262

IUPACN-[(4S)-2-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)N[C@H]1CCCn2nc(-c3ccnc(C(C)(C)O)c3)cc21
InChIInChI=1S/C21H23F3N6O2/c1-20(2,32)17-9-12(6-7-25-17)14-10-15-13(5-4-8-30(15)27-14)26-19(31)16-11-18(21(22,23)24)28-29(16)3/h6-7,9-11,13,32H,4-5,8H2,1-3H3,(H,26,31)/t13-/m0/s1
InChIKeyIIMBNLJUPVMHND-ZDUSSCGKSA-N
MW448.45 g/mol
LogP3.19
Rot. Bonds4

About N-[(4S)-2-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-[(4S)-2-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 177051262) has the molecular formula C21H23F3N6O2 and a molecular weight of 448.45 g/mol. Its IUPAC name is N-[(4S)-2-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4S)-2-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID177051262
Molecular FormulaC21H23F3N6O2
Molecular Weight448.45 g/mol
Exact Mass448.18
IUPAC NameN-[(4S)-2-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)N[C@H]1CCCn2nc(-c3ccnc(C(C)(C)O)c3)cc21
InChIInChI=1S/C21H23F3N6O2/c1-20(2,32)17-9-12(6-7-25-17)14-10-15-13(5-4-8-30(15)27-14)26-19(31)16-11-18(21(22,23)24)28-29(16)3/h6-7,9-11,13,32H,4-5,8H2,1-3H3,(H,26,31)/t13-/m0/s1
InChIKeyIIMBNLJUPVMHND-ZDUSSCGKSA-N
XLogP3.19
TPSA97.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(4S)-2-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-2-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[(4S)-2-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 177051262) is N-[(4S)-2-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[(4S)-2-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[(4S)-2-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)cc1C(=O)N[C@H]1CCCn2nc(-c3ccnc(C(C)(C)O)c3)cc21.
What is the InChIKey of N-[(4S)-2-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is IIMBNLJUPVMHND-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H23F3N6O2/c1-20(2,32)17-9-12(6-7-25-17)14-10-15-13(5-4-8-30(15)27-14)26-19(31)16-11-18(21(22,23)24)28-29(16)3/h6-7,9-11,13,32H,4-5,8H2,1-3H3,(H,26,31)/t13-/m0/s1.
What are the key properties of N-[(4S)-2-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[(4S)-2-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 448.45 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-2-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 177051262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).