(4-cyclohexylpiperazin-1-yl)-[3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methanone

C25H37N5O2 — CID 24817807

IUPAC(4-cyclohexylpiperazin-1-yl)-[3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
SMILESCOCC1CCN(Cc2c(C(=O)N3CCN(C4CCCCC4)CC3)nc3ccccn23)C1
InChIInChI=1S/C25H37N5O2/c1-32-19-20-10-12-27(17-20)18-22-24(26-23-9-5-6-11-30(22)23)25(31)29-15-13-28(14-16-29)21-7-3-2-4-8-21/h5-6,9,11,20-21H,2-4,7-8,10,12-19H2,1H3
InChIKeyBKDPLGGLXKNPRI-UHFFFAOYSA-N
MW439.60 g/mol
LogP2.89
Rot. Bonds6

About (4-cyclohexylpiperazin-1-yl)-[3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methanone

(4-cyclohexylpiperazin-1-yl)-[3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methanone (PubChem CID 24817807) has the molecular formula C25H37N5O2 and a molecular weight of 439.60 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-[3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methanone.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-[3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
PubChem CID24817807
Molecular FormulaC25H37N5O2
Molecular Weight439.60 g/mol
Exact Mass439.29
IUPAC Name(4-cyclohexylpiperazin-1-yl)-[3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
SMILESCOCC1CCN(Cc2c(C(=O)N3CCN(C4CCCCC4)CC3)nc3ccccn23)C1
InChIInChI=1S/C25H37N5O2/c1-32-19-20-10-12-27(17-20)18-22-24(26-23-9-5-6-11-30(22)23)25(31)29-15-13-28(14-16-29)21-7-3-2-4-8-21/h5-6,9,11,20-21H,2-4,7-8,10,12-19H2,1H3
InChIKeyBKDPLGGLXKNPRI-UHFFFAOYSA-N
XLogP2.89
TPSA53.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-cyclohexylpiperazin-1-yl)-[3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methanone with MolForge

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Related Compounds

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N-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxamide
CID 77105903
N-cyclopentyl-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 789703
3,7-Bis(2-methylpropyl)-8-pyridin-3-ylpurine-2,6-dione
CID 4330321
3-Butyl-7-ethyl-8-pyridin-2-ylpurine-2,6-dione
CID 9464177
3-Allyl-1-benzyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione
CID 9974009
1-Benzyl-3-(cyclopropylmethyl)purino[7,8-a]pyridine-2,4-dione
CID 10472803
1-Benzyl-3-cyclohexylmethyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione
CID 10949114
1,3-Dibenzyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione
CID 10970979
1-Benzyl-3-isobutyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione
CID 11046285
1-Benzyl-3-ethyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione
CID 11056301

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)-[3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-[3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methanone (CID 24817807) is (4-cyclohexylpiperazin-1-yl)-[3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methanone.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-[3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-[3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methanone is COCC1CCN(Cc2c(C(=O)N3CCN(C4CCCCC4)CC3)nc3ccccn23)C1.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-[3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
The InChIKey is BKDPLGGLXKNPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O2/c1-32-19-20-10-12-27(17-20)18-22-24(26-23-9-5-6-11-30(22)23)25(31)29-15-13-28(14-16-29)21-7-3-2-4-8-21/h5-6,9,11,20-21H,2-4,7-8,10,12-19H2,1H3.
What are the key properties of (4-cyclohexylpiperazin-1-yl)-[3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
(4-cyclohexylpiperazin-1-yl)-[3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methanone has a molecular weight of 439.60 g/mol, XLogP of 2.89, 6 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-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methanone is sourced from PubChem (CID 24817807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).