(4-cyclohexylpiperazin-1-yl)-[3-[[methyl-[(3S)-oxolan-3-yl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone

C24H35N5O2 — CID 25274299

IUPAC(4-cyclohexylpiperazin-1-yl)-[3-[[methyl-[(3S)-oxolan-3-yl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
SMILESCN(Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccn12)[C@H]1CCOC1
InChIInChI=1S/C24H35N5O2/c1-26(20-10-16-31-18-20)17-21-23(25-22-9-5-6-11-29(21)22)24(30)28-14-12-27(13-15-28)19-7-3-2-4-8-19/h5-6,9,11,19-20H,2-4,7-8,10,12-18H2,1H3/t20-/m0/s1
InChIKeyBGNVXCYPKXXZCG-FQEVSTJZSA-N
MW425.58 g/mol
LogP2.65
Rot. Bonds5

About (4-cyclohexylpiperazin-1-yl)-[3-[[methyl-[(3S)-oxolan-3-yl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone

(4-cyclohexylpiperazin-1-yl)-[3-[[methyl-[(3S)-oxolan-3-yl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone (PubChem CID 25274299) has the molecular formula C24H35N5O2 and a molecular weight of 425.58 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-[3-[[methyl-[(3S)-oxolan-3-yl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-[3-[[methyl-[(3S)-oxolan-3-yl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
PubChem CID25274299
Molecular FormulaC24H35N5O2
Molecular Weight425.58 g/mol
Exact Mass425.28
IUPAC Name(4-cyclohexylpiperazin-1-yl)-[3-[[methyl-[(3S)-oxolan-3-yl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
SMILESCN(Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccn12)[C@H]1CCOC1
InChIInChI=1S/C24H35N5O2/c1-26(20-10-16-31-18-20)17-21-23(25-22-9-5-6-11-29(21)22)24(30)28-14-12-27(13-15-28)19-7-3-2-4-8-19/h5-6,9,11,19-20H,2-4,7-8,10,12-18H2,1H3/t20-/m0/s1
InChIKeyBGNVXCYPKXXZCG-FQEVSTJZSA-N
XLogP2.65
TPSA53.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)-[3-[[methyl-[(3S)-oxolan-3-yl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-[3-[[methyl-[(3S)-oxolan-3-yl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone (CID 25274299) is (4-cyclohexylpiperazin-1-yl)-[3-[[methyl-[(3S)-oxolan-3-yl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-[3-[[methyl-[(3S)-oxolan-3-yl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-[3-[[methyl-[(3S)-oxolan-3-yl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone is CN(Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccn12)[C@H]1CCOC1.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-[3-[[methyl-[(3S)-oxolan-3-yl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
The InChIKey is BGNVXCYPKXXZCG-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H35N5O2/c1-26(20-10-16-31-18-20)17-21-23(25-22-9-5-6-11-29(21)22)24(30)28-14-12-27(13-15-28)19-7-3-2-4-8-19/h5-6,9,11,19-20H,2-4,7-8,10,12-18H2,1H3/t20-/m0/s1.
What are the key properties of (4-cyclohexylpiperazin-1-yl)-[3-[[methyl-[(3S)-oxolan-3-yl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
(4-cyclohexylpiperazin-1-yl)-[3-[[methyl-[(3S)-oxolan-3-yl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone has a molecular weight of 425.58 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperazin-1-yl)-[3-[[methyl-[(3S)-oxolan-3-yl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone is sourced from PubChem (CID 25274299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).