(S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-phenylpiperidin-4-yl)methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-phenylpiperidin-4-yl)methanol

C44H50N6O2 — CID 159413403

IUPAC(S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-phenylpiperidin-4-yl)methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-phenylpiperidin-4-yl)methanol
SMILESO[C@@H](c1c(C2CC2)ccn2cncc12)C1CCN(c2ccccc2)CC1.O[C@H](c1c(C2CC2)ccn2cncc12)C1CCN(c2ccccc2)CC1
InChIInChI=1S/2C22H25N3O/c2*26-22(17-8-11-24(12-9-17)18-4-2-1-3-5-18)21-19(16-6-7-16)10-13-25-15-23-14-20(21)25/h2*1-5,10,13-17,22,26H,6-9,11-12H2/t2*22-/m10/s1
InChIKeyLOWAPMJAPXCQLT-IKXJNKEISA-N
MW694.92 g/mol
LogP8.32
Rot. Bonds8

About (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-phenylpiperidin-4-yl)methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-phenylpiperidin-4-yl)methanol

(S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-phenylpiperidin-4-yl)methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-phenylpiperidin-4-yl)methanol (PubChem CID 159413403) has the molecular formula C44H50N6O2 and a molecular weight of 694.92 g/mol. Its IUPAC name is (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-phenylpiperidin-4-yl)methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-phenylpiperidin-4-yl)methanol.

Molecular Properties

Compound Name(S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-phenylpiperidin-4-yl)methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-phenylpiperidin-4-yl)methanol
PubChem CID159413403
Molecular FormulaC44H50N6O2
Molecular Weight694.92 g/mol
Exact Mass694.40
IUPAC Name(S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-phenylpiperidin-4-yl)methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-phenylpiperidin-4-yl)methanol
SMILESO[C@@H](c1c(C2CC2)ccn2cncc12)C1CCN(c2ccccc2)CC1.O[C@H](c1c(C2CC2)ccn2cncc12)C1CCN(c2ccccc2)CC1
InChIInChI=1S/2C22H25N3O/c2*26-22(17-8-11-24(12-9-17)18-4-2-1-3-5-18)21-19(16-6-7-16)10-13-25-15-23-14-20(21)25/h2*1-5,10,13-17,22,26H,6-9,11-12H2/t2*22-/m10/s1
InChIKeyLOWAPMJAPXCQLT-IKXJNKEISA-N
XLogP8.32
TPSA81.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.92
LogP ≤ 58.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-phenylpiperidin-4-yl)methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-phenylpiperidin-4-yl)methanol with MolForge

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Related Compounds

(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-pyridin-3-ylpiperidin-4-yl)methanol
CID 134381744
4-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]cyclohexan-1-ol
CID 122605011
(S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-naphthalen-1-ylcyclohexyl)methanol
CID 134381351
(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-(furan-3-yl)cyclohexyl]methanol
CID 134381555
(S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-(3-methylphenyl)cyclohexyl]methanol
CID 134381079
(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-(4-methoxyphenyl)cyclohexyl]methanol
CID 134381640
(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-quinolin-5-ylcyclohexyl)methanol
CID 134381125
(S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-phenylcyclohexyl)sulfanylmethanol
CID 145166858
(1R)-2-cyclohexyl-1-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)ethanol
CID 134337836
[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol
CID 140850623
[4-(4-chlorophenyl)cyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol;dohecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101-henpentacontayne
CID 159812288
3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]benzoic acid
CID 134328666

Frequently Asked Questions

What is the IUPAC name of (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-phenylpiperidin-4-yl)methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-phenylpiperidin-4-yl)methanol?
The IUPAC name of (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-phenylpiperidin-4-yl)methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-phenylpiperidin-4-yl)methanol (CID 159413403) is (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-phenylpiperidin-4-yl)methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-phenylpiperidin-4-yl)methanol.
What is the SMILES notation for (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-phenylpiperidin-4-yl)methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-phenylpiperidin-4-yl)methanol?
The canonical SMILES for (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-phenylpiperidin-4-yl)methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-phenylpiperidin-4-yl)methanol is O[C@@H](c1c(C2CC2)ccn2cncc12)C1CCN(c2ccccc2)CC1.O[C@H](c1c(C2CC2)ccn2cncc12)C1CCN(c2ccccc2)CC1.
What is the InChIKey of (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-phenylpiperidin-4-yl)methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-phenylpiperidin-4-yl)methanol?
The InChIKey is LOWAPMJAPXCQLT-IKXJNKEISA-N. The full InChI is InChI=1S/2C22H25N3O/c2*26-22(17-8-11-24(12-9-17)18-4-2-1-3-5-18)21-19(16-6-7-16)10-13-25-15-23-14-20(21)25/h2*1-5,10,13-17,22,26H,6-9,11-12H2/t2*22-/m10/s1.
What are the key properties of (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-phenylpiperidin-4-yl)methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-phenylpiperidin-4-yl)methanol?
(S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-phenylpiperidin-4-yl)methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-phenylpiperidin-4-yl)methanol has a molecular weight of 694.92 g/mol, XLogP of 8.32, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-phenylpiperidin-4-yl)methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-phenylpiperidin-4-yl)methanol is sourced from PubChem (CID 159413403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).