N-[1-[2-(4-chlorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperidin-4-yl]acetamide

C25H24ClN5O2 — CID 137053637

IUPACN-[1-[2-(4-chlorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2nccn3c(-c4ccc(O)cc4)c(-c4ccc(Cl)cc4)nc23)CC1
InChIInChI=1S/C25H24ClN5O2/c1-16(32)28-20-10-13-30(14-11-20)24-25-29-22(17-2-6-19(26)7-3-17)23(31(25)15-12-27-24)18-4-8-21(33)9-5-18/h2-9,12,15,20,33H,10-11,13-14H2,1H3,(H,28,32)
InChIKeyKMQALHDXPAITPP-UHFFFAOYSA-N
MW461.95 g/mol
LogP4.53
Rot. Bonds4

About N-[1-[2-(4-chlorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperidin-4-yl]acetamide

N-[1-[2-(4-chlorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperidin-4-yl]acetamide (PubChem CID 137053637) has the molecular formula C25H24ClN5O2 and a molecular weight of 461.95 g/mol. Its IUPAC name is N-[1-[2-(4-chlorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(4-chlorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperidin-4-yl]acetamide
PubChem CID137053637
Molecular FormulaC25H24ClN5O2
Molecular Weight461.95 g/mol
Exact Mass461.16
IUPAC NameN-[1-[2-(4-chlorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2nccn3c(-c4ccc(O)cc4)c(-c4ccc(Cl)cc4)nc23)CC1
InChIInChI=1S/C25H24ClN5O2/c1-16(32)28-20-10-13-30(14-11-20)24-25-29-22(17-2-6-19(26)7-3-17)23(31(25)15-12-27-24)18-4-8-21(33)9-5-18/h2-9,12,15,20,33H,10-11,13-14H2,1H3,(H,28,32)
InChIKeyKMQALHDXPAITPP-UHFFFAOYSA-N
XLogP4.53
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.95
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-chlorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[2-(4-chlorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperidin-4-yl]acetamide (CID 137053637) is N-[1-[2-(4-chlorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[2-(4-chlorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[2-(4-chlorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(c2nccn3c(-c4ccc(O)cc4)c(-c4ccc(Cl)cc4)nc23)CC1.
What is the InChIKey of N-[1-[2-(4-chlorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperidin-4-yl]acetamide?
The InChIKey is KMQALHDXPAITPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5O2/c1-16(32)28-20-10-13-30(14-11-20)24-25-29-22(17-2-6-19(26)7-3-17)23(31(25)15-12-27-24)18-4-8-21(33)9-5-18/h2-9,12,15,20,33H,10-11,13-14H2,1H3,(H,28,32).
What are the key properties of N-[1-[2-(4-chlorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperidin-4-yl]acetamide?
N-[1-[2-(4-chlorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperidin-4-yl]acetamide has a molecular weight of 461.95 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-chlorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 137053637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).