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

C19H19F3N6O2 — CID 177050010

IUPACN-[(4S)-2-[2-(hydroxymethyl)-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(CO)c3)cc21
InChIInChI=1S/C19H19F3N6O2/c1-27-16(9-17(26-27)19(20,21)22)18(30)24-13-3-2-6-28-15(13)8-14(25-28)11-4-5-23-12(7-11)10-29/h4-5,7-9,13,29H,2-3,6,10H2,1H3,(H,24,30)/t13-/m0/s1
InChIKeyRROMVXFJQWIYDA-ZDUSSCGKSA-N
MW420.40 g/mol
LogP2.45
Rot. Bonds4

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

N-[(4S)-2-[2-(hydroxymethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 177050010) has the molecular formula C19H19F3N6O2 and a molecular weight of 420.40 g/mol. Its IUPAC name is N-[(4S)-2-[2-(hydroxymethyl)-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-(hydroxymethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID177050010
Molecular FormulaC19H19F3N6O2
Molecular Weight420.40 g/mol
Exact Mass420.15
IUPAC NameN-[(4S)-2-[2-(hydroxymethyl)-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(CO)c3)cc21
InChIInChI=1S/C19H19F3N6O2/c1-27-16(9-17(26-27)19(20,21)22)18(30)24-13-3-2-6-28-15(13)8-14(25-28)11-4-5-23-12(7-11)10-29/h4-5,7-9,13,29H,2-3,6,10H2,1H3,(H,24,30)/t13-/m0/s1
InChIKeyRROMVXFJQWIYDA-ZDUSSCGKSA-N
XLogP2.45
TPSA97.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(4S)-2-[2-(hydroxymethyl)-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-(hydroxymethyl)-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-(hydroxymethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 177050010) is N-[(4S)-2-[2-(hydroxymethyl)-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-(hydroxymethyl)-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-(hydroxymethyl)-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(CO)c3)cc21.
What is the InChIKey of N-[(4S)-2-[2-(hydroxymethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is RROMVXFJQWIYDA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19F3N6O2/c1-27-16(9-17(26-27)19(20,21)22)18(30)24-13-3-2-6-28-15(13)8-14(25-28)11-4-5-23-12(7-11)10-29/h4-5,7-9,13,29H,2-3,6,10H2,1H3,(H,24,30)/t13-/m0/s1.
What are the key properties of N-[(4S)-2-[2-(hydroxymethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[(4S)-2-[2-(hydroxymethyl)-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 420.40 g/mol, XLogP of 2.45, 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-(hydroxymethyl)-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 177050010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).