[3-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] cyclopentanecarboxylate

C26H31N3O2 — CID 3295389

IUPAC[3-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] cyclopentanecarboxylate
SMILESCc1ccn2c(NC3CCCCC3)c(-c3cccc(OC(=O)C4CCCC4)c3)nc2c1
InChIInChI=1S/C26H31N3O2/c1-18-14-15-29-23(16-18)28-24(25(29)27-21-11-3-2-4-12-21)20-10-7-13-22(17-20)31-26(30)19-8-5-6-9-19/h7,10,13-17,19,21,27H,2-6,8-9,11-12H2,1H3
InChIKeyRNLZYQJQXQOMRH-UHFFFAOYSA-N
MW417.55 g/mol
LogP6.15
Rot. Bonds5

About [3-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] cyclopentanecarboxylate

[3-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] cyclopentanecarboxylate (PubChem CID 3295389) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is [3-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] cyclopentanecarboxylate.

Molecular Properties

Compound Name[3-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] cyclopentanecarboxylate
PubChem CID3295389
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC Name[3-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] cyclopentanecarboxylate
SMILESCc1ccn2c(NC3CCCCC3)c(-c3cccc(OC(=O)C4CCCC4)c3)nc2c1
InChIInChI=1S/C26H31N3O2/c1-18-14-15-29-23(16-18)28-24(25(29)27-21-11-3-2-4-12-21)20-10-7-13-22(17-20)31-26(30)19-8-5-6-9-19/h7,10,13-17,19,21,27H,2-6,8-9,11-12H2,1H3
InChIKeyRNLZYQJQXQOMRH-UHFFFAOYSA-N
XLogP6.15
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.55
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] cyclopropanecarboxylate
CID 42743325
[3-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2,4,6-trimethylbenzenesulfonate
CID 3928909
[3-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-methoxybenzenesulfonate
CID 3439834
[3-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] octane-1-sulfonate
CID 42743329
[4-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] octanoate
CID 3381982
N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)cyclohexanecarboxamide
CID 40656282
4-[3-(cyclopentylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol
CID 855600
[3-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] propanoate
CID 1195024
[4-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] furan-2-carboxylate
CID 3916477
[3-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3-cyclopentylpropanoate
CID 3381984
N-[2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide
CID 42693972
N-[2-(3-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]cyclobutanecarboxamide
CID 42694390

Frequently Asked Questions

What is the IUPAC name of [3-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] cyclopentanecarboxylate?
The IUPAC name of [3-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] cyclopentanecarboxylate (CID 3295389) is [3-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] cyclopentanecarboxylate.
What is the SMILES notation for [3-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] cyclopentanecarboxylate?
The canonical SMILES for [3-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] cyclopentanecarboxylate is Cc1ccn2c(NC3CCCCC3)c(-c3cccc(OC(=O)C4CCCC4)c3)nc2c1.
What is the InChIKey of [3-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] cyclopentanecarboxylate?
The InChIKey is RNLZYQJQXQOMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-18-14-15-29-23(16-18)28-24(25(29)27-21-11-3-2-4-12-21)20-10-7-13-22(17-20)31-26(30)19-8-5-6-9-19/h7,10,13-17,19,21,27H,2-6,8-9,11-12H2,1H3.
What are the key properties of [3-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] cyclopentanecarboxylate?
[3-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] cyclopentanecarboxylate has a molecular weight of 417.55 g/mol, XLogP of 6.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] cyclopentanecarboxylate is sourced from PubChem (CID 3295389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).