[(3R)-3-aminopiperidin-1-yl]-[2-[1-[[4-(hydroxymethyl)phenyl]methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone

C30H31N5O2 — CID 138579098

IUPAC[(3R)-3-aminopiperidin-1-yl]-[2-[1-[[4-(hydroxymethyl)phenyl]methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
SMILESCc1c(-c2cc3ccccc3n2Cc2ccc(CO)cc2)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccn12
InChIInChI=1S/C30H31N5O2/c1-20-29(32-28-16-24(12-14-34(20)28)30(37)33-13-4-6-25(31)18-33)27-15-23-5-2-3-7-26(23)35(27)17-21-8-10-22(19-36)11-9-21/h2-3,5,7-12,14-16,25,36H,4,6,13,17-19,31H2,1H3/t25-/m1/s1
InChIKeyQYKPJYOALITESI-RUZDIDTESA-N
MW493.61 g/mol
LogP4.37
Rot. Bonds5

About [(3R)-3-aminopiperidin-1-yl]-[2-[1-[[4-(hydroxymethyl)phenyl]methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone

[(3R)-3-aminopiperidin-1-yl]-[2-[1-[[4-(hydroxymethyl)phenyl]methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone (PubChem CID 138579098) has the molecular formula C30H31N5O2 and a molecular weight of 493.61 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-[2-[1-[[4-(hydroxymethyl)phenyl]methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopiperidin-1-yl]-[2-[1-[[4-(hydroxymethyl)phenyl]methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
PubChem CID138579098
Molecular FormulaC30H31N5O2
Molecular Weight493.61 g/mol
Exact Mass493.25
IUPAC Name[(3R)-3-aminopiperidin-1-yl]-[2-[1-[[4-(hydroxymethyl)phenyl]methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
SMILESCc1c(-c2cc3ccccc3n2Cc2ccc(CO)cc2)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccn12
InChIInChI=1S/C30H31N5O2/c1-20-29(32-28-16-24(12-14-34(20)28)30(37)33-13-4-6-25(31)18-33)27-15-23-5-2-3-7-26(23)35(27)17-21-8-10-22(19-36)11-9-21/h2-3,5,7-12,14-16,25,36H,4,6,13,17-19,31H2,1H3/t25-/m1/s1
InChIKeyQYKPJYOALITESI-RUZDIDTESA-N
XLogP4.37
TPSA88.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(3R)-3-aminopiperidin-1-yl]-[2-[1-[[4-(hydroxymethyl)phenyl]methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone 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 [(3R)-3-aminopiperidin-1-yl]-[2-[1-[[4-(hydroxymethyl)phenyl]methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?
The IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[2-[1-[[4-(hydroxymethyl)phenyl]methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone (CID 138579098) is [(3R)-3-aminopiperidin-1-yl]-[2-[1-[[4-(hydroxymethyl)phenyl]methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone.
What is the SMILES notation for [(3R)-3-aminopiperidin-1-yl]-[2-[1-[[4-(hydroxymethyl)phenyl]methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?
The canonical SMILES for [(3R)-3-aminopiperidin-1-yl]-[2-[1-[[4-(hydroxymethyl)phenyl]methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone is Cc1c(-c2cc3ccccc3n2Cc2ccc(CO)cc2)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccn12.
What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-[2-[1-[[4-(hydroxymethyl)phenyl]methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?
The InChIKey is QYKPJYOALITESI-RUZDIDTESA-N. The full InChI is InChI=1S/C30H31N5O2/c1-20-29(32-28-16-24(12-14-34(20)28)30(37)33-13-4-6-25(31)18-33)27-15-23-5-2-3-7-26(23)35(27)17-21-8-10-22(19-36)11-9-21/h2-3,5,7-12,14-16,25,36H,4,6,13,17-19,31H2,1H3/t25-/m1/s1.
What are the key properties of [(3R)-3-aminopiperidin-1-yl]-[2-[1-[[4-(hydroxymethyl)phenyl]methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?
[(3R)-3-aminopiperidin-1-yl]-[2-[1-[[4-(hydroxymethyl)phenyl]methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone has a molecular weight of 493.61 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopiperidin-1-yl]-[2-[1-[[4-(hydroxymethyl)phenyl]methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone is sourced from PubChem (CID 138579098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).