N-[(4S)-2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C20H18F3N5O2 — CID 177051518

IUPACN-[(4S)-2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc(-c2cc3n(n2)CCC[C@@H]3NC(=O)c2cccc(C(F)(F)F)n2)ccn1
InChIInChI=1S/C20H18F3N5O2/c1-30-18-10-12(7-8-24-18)15-11-16-13(5-3-9-28(16)27-15)26-19(29)14-4-2-6-17(25-14)20(21,22)23/h2,4,6-8,10-11,13H,3,5,9H2,1H3,(H,26,29)/t13-/m0/s1
InChIKeyFAADLPTVQJMHFP-ZDUSSCGKSA-N
MW417.39 g/mol
LogP3.63
Rot. Bonds4

About N-[(4S)-2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[(4S)-2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 177051518) has the molecular formula C20H18F3N5O2 and a molecular weight of 417.39 g/mol. Its IUPAC name is N-[(4S)-2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4S)-2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID177051518
Molecular FormulaC20H18F3N5O2
Molecular Weight417.39 g/mol
Exact Mass417.14
IUPAC NameN-[(4S)-2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc(-c2cc3n(n2)CCC[C@@H]3NC(=O)c2cccc(C(F)(F)F)n2)ccn1
InChIInChI=1S/C20H18F3N5O2/c1-30-18-10-12(7-8-24-18)15-11-16-13(5-3-9-28(16)27-15)26-19(29)14-4-2-6-17(25-14)20(21,22)23/h2,4,6-8,10-11,13H,3,5,9H2,1H3,(H,26,29)/t13-/m0/s1
InChIKeyFAADLPTVQJMHFP-ZDUSSCGKSA-N
XLogP3.63
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[(4S)-2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 177051518) is N-[(4S)-2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(4S)-2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[(4S)-2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is COc1cc(-c2cc3n(n2)CCC[C@@H]3NC(=O)c2cccc(C(F)(F)F)n2)ccn1.
What is the InChIKey of N-[(4S)-2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is FAADLPTVQJMHFP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H18F3N5O2/c1-30-18-10-12(7-8-24-18)15-11-16-13(5-3-9-28(16)27-15)26-19(29)14-4-2-6-17(25-14)20(21,22)23/h2,4,6-8,10-11,13H,3,5,9H2,1H3,(H,26,29)/t13-/m0/s1.
What are the key properties of N-[(4S)-2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[(4S)-2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 417.39 g/mol, XLogP of 3.63, 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-methoxy-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 177051518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).