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

C20H21F3N6O2 — CID 177049993

IUPACN-[2-[2-(1-hydroxyethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCC(O)c1cc(-c2cc3n(n2)CCCC3NC(=O)c2cc(C(F)(F)F)nn2C)ccn1
InChIInChI=1S/C20H21F3N6O2/c1-11(30)14-8-12(5-6-24-14)15-9-16-13(4-3-7-29(16)26-15)25-19(31)17-10-18(20(21,22)23)27-28(17)2/h5-6,8-11,13,30H,3-4,7H2,1-2H3,(H,25,31)
InChIKeyHYAIRHQZICAZAE-UHFFFAOYSA-N
MW434.42 g/mol
LogP3.02
Rot. Bonds4

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

N-[2-[2-(1-hydroxyethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 177049993) has the molecular formula C20H21F3N6O2 and a molecular weight of 434.42 g/mol. Its IUPAC name is N-[2-[2-(1-hydroxyethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(1-hydroxyethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID177049993
Molecular FormulaC20H21F3N6O2
Molecular Weight434.42 g/mol
Exact Mass434.17
IUPAC NameN-[2-[2-(1-hydroxyethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCC(O)c1cc(-c2cc3n(n2)CCCC3NC(=O)c2cc(C(F)(F)F)nn2C)ccn1
InChIInChI=1S/C20H21F3N6O2/c1-11(30)14-8-12(5-6-24-14)15-9-16-13(4-3-7-29(16)26-15)25-19(31)17-10-18(20(21,22)23)27-28(17)2/h5-6,8-11,13,30H,3-4,7H2,1-2H3,(H,25,31)
InChIKeyHYAIRHQZICAZAE-UHFFFAOYSA-N
XLogP3.02
TPSA97.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[2-(1-hydroxyethyl)-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-[2-[2-(1-hydroxyethyl)-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-[2-[2-(1-hydroxyethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 177049993) is N-[2-[2-(1-hydroxyethyl)-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-[2-[2-(1-hydroxyethyl)-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-[2-[2-(1-hydroxyethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is CC(O)c1cc(-c2cc3n(n2)CCCC3NC(=O)c2cc(C(F)(F)F)nn2C)ccn1.
What is the InChIKey of N-[2-[2-(1-hydroxyethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is HYAIRHQZICAZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N6O2/c1-11(30)14-8-12(5-6-24-14)15-9-16-13(4-3-7-29(16)26-15)25-19(31)17-10-18(20(21,22)23)27-28(17)2/h5-6,8-11,13,30H,3-4,7H2,1-2H3,(H,25,31).
What are the key properties of N-[2-[2-(1-hydroxyethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[2-[2-(1-hydroxyethyl)-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 434.42 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1-hydroxyethyl)-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 177049993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).