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

C23H28F4N4O — CID 134224574

IUPAC[5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol
SMILESOC(c1n[nH]c2c1CN(CC1CC1)CC2)N1CCC(c2cccc(F)c2C(F)(F)F)CC1
InChIInChI=1S/C23H28F4N4O/c24-18-3-1-2-16(20(18)23(25,26)27)15-6-10-31(11-7-15)22(32)21-17-13-30(12-14-4-5-14)9-8-19(17)28-29-21/h1-3,14-15,22,32H,4-13H2,(H,28,29)
InChIKeyIECJMMGAMZGAKA-UHFFFAOYSA-N
MW452.50 g/mol
LogP4.21
Rot. Bonds5

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

[5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol (PubChem CID 134224574) has the molecular formula C23H28F4N4O and a molecular weight of 452.50 g/mol. Its IUPAC name is [5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol.

Molecular Properties

Compound Name[5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol
PubChem CID134224574
Molecular FormulaC23H28F4N4O
Molecular Weight452.50 g/mol
Exact Mass452.22
IUPAC Name[5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol
SMILESOC(c1n[nH]c2c1CN(CC1CC1)CC2)N1CCC(c2cccc(F)c2C(F)(F)F)CC1
InChIInChI=1S/C23H28F4N4O/c24-18-3-1-2-16(20(18)23(25,26)27)15-6-10-31(11-7-15)22(32)21-17-13-30(12-14-4-5-14)9-8-19(17)28-29-21/h1-3,14-15,22,32H,4-13H2,(H,28,29)
InChIKeyIECJMMGAMZGAKA-UHFFFAOYSA-N
XLogP4.21
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.50
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol?
The IUPAC name of [5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol (CID 134224574) is [5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol.
What is the SMILES notation for [5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol?
The canonical SMILES for [5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol is OC(c1n[nH]c2c1CN(CC1CC1)CC2)N1CCC(c2cccc(F)c2C(F)(F)F)CC1.
What is the InChIKey of [5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol?
The InChIKey is IECJMMGAMZGAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F4N4O/c24-18-3-1-2-16(20(18)23(25,26)27)15-6-10-31(11-7-15)22(32)21-17-13-30(12-14-4-5-14)9-8-19(17)28-29-21/h1-3,14-15,22,32H,4-13H2,(H,28,29).
What are the key properties of [5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol?
[5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol has a molecular weight of 452.50 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol is sourced from PubChem (CID 134224574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).