1-[(3S)-1-benzylpyrrolidin-3-yl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea

C20H23N5O — CID 94028303

IUPAC1-[(3S)-1-benzylpyrrolidin-3-yl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea
SMILESO=C(NCc1cn2ccccc2n1)N[C@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C20H23N5O/c26-20(21-12-18-15-25-10-5-4-8-19(25)22-18)23-17-9-11-24(14-17)13-16-6-2-1-3-7-16/h1-8,10,15,17H,9,11-14H2,(H2,21,23,26)/t17-/m0/s1
InChIKeySTFLGMINSHSVHR-KRWDZBQOSA-N
MW349.44 g/mol
LogP2.41
Rot. Bonds5

About 1-[(3S)-1-benzylpyrrolidin-3-yl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea

1-[(3S)-1-benzylpyrrolidin-3-yl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea (PubChem CID 94028303) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-[(3S)-1-benzylpyrrolidin-3-yl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(3S)-1-benzylpyrrolidin-3-yl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea
PubChem CID94028303
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name1-[(3S)-1-benzylpyrrolidin-3-yl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea
SMILESO=C(NCc1cn2ccccc2n1)N[C@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C20H23N5O/c26-20(21-12-18-15-25-10-5-4-8-19(25)22-18)23-17-9-11-24(14-17)13-16-6-2-1-3-7-16/h1-8,10,15,17H,9,11-14H2,(H2,21,23,26)/t17-/m0/s1
InChIKeySTFLGMINSHSVHR-KRWDZBQOSA-N
XLogP2.41
TPSA61.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(3S)-1-benzylpyrrolidin-3-yl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea with MolForge

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

Launch Full Analysis

Related Compounds

N-(1-benzylpiperidin-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 51254704
1-benzyl-3-[(3S)-1-benzylpiperidin-3-yl]urea
CID 51941035
N-(1-benzylpiperidin-4-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 24541999
1-[(3R)-1-benzylpyrrolidin-3-yl]-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)urea
CID 94160787
1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-3-ol
CID 62918360
1-benzyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 9185448
1-(1-benzylazocan-3-yl)-3-[(6-oxo-1H-pyridazin-3-yl)methyl]urea
CID 138056976
2-cyclopentyl-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]acetamide
CID 95176142
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
1-benzyl-3-[(3S)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]urea
CID 98042276
1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-3-carboxylic acid
CID 43385952
3-[[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]carbamoylamino]methyl]benzoic acid
CID 146137624

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-benzylpyrrolidin-3-yl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea?
The IUPAC name of 1-[(3S)-1-benzylpyrrolidin-3-yl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea (CID 94028303) is 1-[(3S)-1-benzylpyrrolidin-3-yl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-[(3S)-1-benzylpyrrolidin-3-yl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-[(3S)-1-benzylpyrrolidin-3-yl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea is O=C(NCc1cn2ccccc2n1)N[C@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-[(3S)-1-benzylpyrrolidin-3-yl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea?
The InChIKey is STFLGMINSHSVHR-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23N5O/c26-20(21-12-18-15-25-10-5-4-8-19(25)22-18)23-17-9-11-24(14-17)13-16-6-2-1-3-7-16/h1-8,10,15,17H,9,11-14H2,(H2,21,23,26)/t17-/m0/s1.
What are the key properties of 1-[(3S)-1-benzylpyrrolidin-3-yl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea?
1-[(3S)-1-benzylpyrrolidin-3-yl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea has a molecular weight of 349.44 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-benzylpyrrolidin-3-yl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea is sourced from PubChem (CID 94028303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).