[5-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol

C23H31F3N4O — CID 138592639

IUPAC[5-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol
SMILESCC(C)CN1CCc2[nH]nc(C(O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2C1
InChIInChI=1S/C23H31F3N4O/c1-15(2)13-29-10-9-20-18(14-29)21(28-27-20)22(31)30-11-7-16(8-12-30)17-5-3-4-6-19(17)23(24,25)26/h3-6,15-16,22,31H,7-14H2,1-2H3,(H,27,28)
InChIKeyUFNQVZQTCCIZHM-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.31
Rot. Bonds5

About [5-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol

[5-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol (PubChem CID 138592639) has the molecular formula C23H31F3N4O and a molecular weight of 436.52 g/mol. Its IUPAC name is [5-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol.

Molecular Properties

Compound Name[5-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol
PubChem CID138592639
Molecular FormulaC23H31F3N4O
Molecular Weight436.52 g/mol
Exact Mass436.24
IUPAC Name[5-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol
SMILESCC(C)CN1CCc2[nH]nc(C(O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2C1
InChIInChI=1S/C23H31F3N4O/c1-15(2)13-29-10-9-20-18(14-29)21(28-27-20)22(31)30-11-7-16(8-12-30)17-5-3-4-6-19(17)23(24,25)26/h3-6,15-16,22,31H,7-14H2,1-2H3,(H,27,28)
InChIKeyUFNQVZQTCCIZHM-UHFFFAOYSA-N
XLogP4.31
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol?
The IUPAC name of [5-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol (CID 138592639) is [5-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol.
What is the SMILES notation for [5-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol?
The canonical SMILES for [5-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol is CC(C)CN1CCc2[nH]nc(C(O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2C1.
What is the InChIKey of [5-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol?
The InChIKey is UFNQVZQTCCIZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F3N4O/c1-15(2)13-29-10-9-20-18(14-29)21(28-27-20)22(31)30-11-7-16(8-12-30)17-5-3-4-6-19(17)23(24,25)26/h3-6,15-16,22,31H,7-14H2,1-2H3,(H,27,28).
What are the key properties of [5-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol?
[5-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol has a molecular weight of 436.52 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol is sourced from PubChem (CID 138592639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).