[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-6-methyl-5-phenylmethoxy-3-pyridinyl]methanol

C27H30N4O2 — CID 70677105

IUPAC[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-6-methyl-5-phenylmethoxy-3-pyridinyl]methanol
SMILESCc1ncc(CO)c(-c2nc3ccccn3c2NC2CCCCC2)c1OCc1ccccc1
InChIInChI=1S/C27H30N4O2/c1-19-26(33-18-20-10-4-2-5-11-20)24(21(17-32)16-28-19)25-27(29-22-12-6-3-7-13-22)31-15-9-8-14-23(31)30-25/h2,4-5,8-11,14-16,22,29,32H,3,6-7,12-13,17-18H2,1H3
InChIKeyWYJFZRSRLZXGGC-UHFFFAOYSA-N
MW442.56 g/mol
LogP5.52
Rot. Bonds7

About [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-6-methyl-5-phenylmethoxy-3-pyridinyl]methanol

[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-6-methyl-5-phenylmethoxy-3-pyridinyl]methanol (PubChem CID 70677105) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-6-methyl-5-phenylmethoxy-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-6-methyl-5-phenylmethoxy-3-pyridinyl]methanol
PubChem CID70677105
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC Name[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-6-methyl-5-phenylmethoxy-3-pyridinyl]methanol
SMILESCc1ncc(CO)c(-c2nc3ccccn3c2NC2CCCCC2)c1OCc1ccccc1
InChIInChI=1S/C27H30N4O2/c1-19-26(33-18-20-10-4-2-5-11-20)24(21(17-32)16-28-19)25-27(29-22-12-6-3-7-13-22)31-15-9-8-14-23(31)30-25/h2,4-5,8-11,14-16,22,29,32H,3,6-7,12-13,17-18H2,1H3
InChIKeyWYJFZRSRLZXGGC-UHFFFAOYSA-N
XLogP5.52
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-6-methyl-5-phenylmethoxy-3-pyridinyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-6-methyl-5-phenylmethoxy-3-pyridinyl]methanol?
The IUPAC name of [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-6-methyl-5-phenylmethoxy-3-pyridinyl]methanol (CID 70677105) is [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-6-methyl-5-phenylmethoxy-3-pyridinyl]methanol.
What is the SMILES notation for [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-6-methyl-5-phenylmethoxy-3-pyridinyl]methanol?
The canonical SMILES for [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-6-methyl-5-phenylmethoxy-3-pyridinyl]methanol is Cc1ncc(CO)c(-c2nc3ccccn3c2NC2CCCCC2)c1OCc1ccccc1.
What is the InChIKey of [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-6-methyl-5-phenylmethoxy-3-pyridinyl]methanol?
The InChIKey is WYJFZRSRLZXGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c1-19-26(33-18-20-10-4-2-5-11-20)24(21(17-32)16-28-19)25-27(29-22-12-6-3-7-13-22)31-15-9-8-14-23(31)30-25/h2,4-5,8-11,14-16,22,29,32H,3,6-7,12-13,17-18H2,1H3.
What are the key properties of [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-6-methyl-5-phenylmethoxy-3-pyridinyl]methanol?
[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-6-methyl-5-phenylmethoxy-3-pyridinyl]methanol has a molecular weight of 442.56 g/mol, XLogP of 5.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-6-methyl-5-phenylmethoxy-3-pyridinyl]methanol is sourced from PubChem (CID 70677105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).