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

C20H18F3N5O2 — CID 177051382

IUPACN-[(4S)-2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc(-c2cc3n(n2)CCC[C@@H]3NC(=O)c2cc(C(F)(F)F)ccn2)ccn1
InChIInChI=1S/C20H18F3N5O2/c1-30-18-9-12(4-6-25-18)15-11-17-14(3-2-8-28(17)27-15)26-19(29)16-10-13(5-7-24-16)20(21,22)23/h4-7,9-11,14H,2-3,8H2,1H3,(H,26,29)/t14-/m0/s1
InChIKeyDYZITDXESXLNCL-AWEZNQCLSA-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]-4-(trifluoromethyl)pyridine-2-carboxamide

N-[(4S)-2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-4-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 177051382) 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]-4-(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]-4-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID177051382
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]-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc(-c2cc3n(n2)CCC[C@@H]3NC(=O)c2cc(C(F)(F)F)ccn2)ccn1
InChIInChI=1S/C20H18F3N5O2/c1-30-18-9-12(4-6-25-18)15-11-17-14(3-2-8-28(17)27-15)26-19(29)16-10-13(5-7-24-16)20(21,22)23/h4-7,9-11,14H,2-3,8H2,1H3,(H,26,29)/t14-/m0/s1
InChIKeyDYZITDXESXLNCL-AWEZNQCLSA-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]-4-(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]-4-(trifluoromethyl)pyridine-2-carboxamide (CID 177051382) is N-[(4S)-2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-4-(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]-4-(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]-4-(trifluoromethyl)pyridine-2-carboxamide is COc1cc(-c2cc3n(n2)CCC[C@@H]3NC(=O)c2cc(C(F)(F)F)ccn2)ccn1.
What is the InChIKey of N-[(4S)-2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is DYZITDXESXLNCL-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H18F3N5O2/c1-30-18-9-12(4-6-25-18)15-11-17-14(3-2-8-28(17)27-15)26-19(29)16-10-13(5-7-24-16)20(21,22)23/h4-7,9-11,14H,2-3,8H2,1H3,(H,26,29)/t14-/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]-4-(trifluoromethyl)pyridine-2-carboxamide?
N-[(4S)-2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-4-(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]-4-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 177051382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).