methyl 5-chloro-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]imidazole-4-carboxylate

C14H15ClN4O2 — CID 152604952

IUPACmethyl 5-chloro-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]imidazole-4-carboxylate
SMILESCOC(=O)c1c(Cl)ncn1[C@@H]1CCN(c2ccccn2)C1
InChIInChI=1S/C14H15ClN4O2/c1-21-14(20)12-13(15)17-9-19(12)10-5-7-18(8-10)11-4-2-3-6-16-11/h2-4,6,9-10H,5,7-8H2,1H3/t10-/m1/s1
InChIKeyYYHPVADOJXFAKB-SNVBAGLBSA-N
MW306.75 g/mol
LogP2.17
Rot. Bonds3

About methyl 5-chloro-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]imidazole-4-carboxylate

methyl 5-chloro-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]imidazole-4-carboxylate (PubChem CID 152604952) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is methyl 5-chloro-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]imidazole-4-carboxylate
PubChem CID152604952
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Namemethyl 5-chloro-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]imidazole-4-carboxylate
SMILESCOC(=O)c1c(Cl)ncn1[C@@H]1CCN(c2ccccn2)C1
InChIInChI=1S/C14H15ClN4O2/c1-21-14(20)12-13(15)17-9-19(12)10-5-7-18(8-10)11-4-2-3-6-16-11/h2-4,6,9-10H,5,7-8H2,1H3/t10-/m1/s1
InChIKeyYYHPVADOJXFAKB-SNVBAGLBSA-N
XLogP2.17
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 5-chloro-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]imidazole-4-carboxylate 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

tert-butyl 3-pyridin-2-yl-3,9-diazabicyclo[4.2.1]nonane-9-carboxylate
CID 71924163
(3R)-N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 141191344
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 79002061
methyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate
CID 133326705
ethane;1-methyl-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 91102074
methyl 4-chloro-2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 133279621
1-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 63845661
3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane
CID 169176717
2-(1-pyridin-2-ylpyrrolidin-3-yl)acetic acid
CID 66880578
methyl 3-[(1-pyridin-2-ylpiperidin-4-yl)methoxy]benzoate
CID 90086497
N-methyl-1-pyridin-2-ylpiperidine-3-carboxamide
CID 133270598
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697085

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]imidazole-4-carboxylate?
The IUPAC name of methyl 5-chloro-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]imidazole-4-carboxylate (CID 152604952) is methyl 5-chloro-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]imidazole-4-carboxylate.
What is the SMILES notation for methyl 5-chloro-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]imidazole-4-carboxylate?
The canonical SMILES for methyl 5-chloro-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]imidazole-4-carboxylate is COC(=O)c1c(Cl)ncn1[C@@H]1CCN(c2ccccn2)C1.
What is the InChIKey of methyl 5-chloro-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]imidazole-4-carboxylate?
The InChIKey is YYHPVADOJXFAKB-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-21-14(20)12-13(15)17-9-19(12)10-5-7-18(8-10)11-4-2-3-6-16-11/h2-4,6,9-10H,5,7-8H2,1H3/t10-/m1/s1.
What are the key properties of methyl 5-chloro-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]imidazole-4-carboxylate?
methyl 5-chloro-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]imidazole-4-carboxylate has a molecular weight of 306.75 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]imidazole-4-carboxylate is sourced from PubChem (CID 152604952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).