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

C20H21F3N6O — CID 177051559

IUPACN-[(4S)-2-(2-ethyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCc1cc(-c2cc3n(n2)CCC[C@@H]3NC(=O)c2cc(C(F)(F)F)nn2C)ccn1
InChIInChI=1S/C20H21F3N6O/c1-3-13-9-12(6-7-24-13)15-10-16-14(5-4-8-29(16)26-15)25-19(30)17-11-18(20(21,22)23)27-28(17)2/h6-7,9-11,14H,3-5,8H2,1-2H3,(H,25,30)/t14-/m0/s1
InChIKeyIIYJYBAVFOVXTQ-AWEZNQCLSA-N
MW418.42 g/mol
LogP3.52
Rot. Bonds4

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

N-[(4S)-2-(2-ethyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 177051559) has the molecular formula C20H21F3N6O and a molecular weight of 418.42 g/mol. Its IUPAC name is N-[(4S)-2-(2-ethyl-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-ethyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID177051559
Molecular FormulaC20H21F3N6O
Molecular Weight418.42 g/mol
Exact Mass418.17
IUPAC NameN-[(4S)-2-(2-ethyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCc1cc(-c2cc3n(n2)CCC[C@@H]3NC(=O)c2cc(C(F)(F)F)nn2C)ccn1
InChIInChI=1S/C20H21F3N6O/c1-3-13-9-12(6-7-24-13)15-10-16-14(5-4-8-29(16)26-15)25-19(30)17-11-18(20(21,22)23)27-28(17)2/h6-7,9-11,14H,3-5,8H2,1-2H3,(H,25,30)/t14-/m0/s1
InChIKeyIIYJYBAVFOVXTQ-AWEZNQCLSA-N
XLogP3.52
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4S)-2-(2-ethyl-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-ethyl-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-ethyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 177051559) is N-[(4S)-2-(2-ethyl-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-ethyl-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-ethyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is CCc1cc(-c2cc3n(n2)CCC[C@@H]3NC(=O)c2cc(C(F)(F)F)nn2C)ccn1.
What is the InChIKey of N-[(4S)-2-(2-ethyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is IIYJYBAVFOVXTQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21F3N6O/c1-3-13-9-12(6-7-24-13)15-10-16-14(5-4-8-29(16)26-15)25-19(30)17-11-18(20(21,22)23)27-28(17)2/h6-7,9-11,14H,3-5,8H2,1-2H3,(H,25,30)/t14-/m0/s1.
What are the key properties of N-[(4S)-2-(2-ethyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[(4S)-2-(2-ethyl-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 418.42 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-2-(2-ethyl-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 177051559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).