3-(2-methylpropyl)-2-[(3R)-pyrrolidin-3-yl]imidazo[4,5-c]pyridine

C14H20N4 — CID 97032975

IUPAC3-(2-methylpropyl)-2-[(3R)-pyrrolidin-3-yl]imidazo[4,5-c]pyridine
SMILESCC(C)Cn1c([C@@H]2CCNC2)nc2ccncc21
InChIInChI=1S/C14H20N4/c1-10(2)9-18-13-8-16-6-4-12(13)17-14(18)11-3-5-15-7-11/h4,6,8,10-11,15H,3,5,7,9H2,1-2H3/t11-/m1/s1
InChIKeyPYXXLYPXEQYXHR-LLVKDONJSA-N
MW244.34 g/mol
LogP2.16
Rot. Bonds3

About 3-(2-methylpropyl)-2-[(3R)-pyrrolidin-3-yl]imidazo[4,5-c]pyridine

3-(2-methylpropyl)-2-[(3R)-pyrrolidin-3-yl]imidazo[4,5-c]pyridine (PubChem CID 97032975) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-(2-methylpropyl)-2-[(3R)-pyrrolidin-3-yl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name3-(2-methylpropyl)-2-[(3R)-pyrrolidin-3-yl]imidazo[4,5-c]pyridine
PubChem CID97032975
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name3-(2-methylpropyl)-2-[(3R)-pyrrolidin-3-yl]imidazo[4,5-c]pyridine
SMILESCC(C)Cn1c([C@@H]2CCNC2)nc2ccncc21
InChIInChI=1S/C14H20N4/c1-10(2)9-18-13-8-16-6-4-12(13)17-14(18)11-3-5-15-7-11/h4,6,8,10-11,15H,3,5,7,9H2,1-2H3/t11-/m1/s1
InChIKeyPYXXLYPXEQYXHR-LLVKDONJSA-N
XLogP2.16
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methoxypropyl)-2-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridine
CID 66785612
1-(2-methylpropyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole
CID 82334211
(2-methylphenyl)-[(3S)-3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]methanone
CID 97429597
[3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 71835904
(2-ethylpyrazol-3-yl)-[3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]methanone
CID 83272689
N-[3-[(3S)-3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidine-1-carbonyl]phenyl]acetamide
CID 97429558
6-chloro-1-ethyl-2-pyrrolidin-3-ylbenzimidazole
CID 113316602
1-tert-butyl-2-pyrrolidin-3-ylbenzimidazole
CID 63030439
1-[3-(3-ethylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 83272601
1-[(3S)-3-(3-ethylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 97429398
3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine
CID 117160291
1-(2-methylpropyl)-4-pyrrolidin-3-ylpyrazole
CID 105447574

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-2-[(3R)-pyrrolidin-3-yl]imidazo[4,5-c]pyridine?
The IUPAC name of 3-(2-methylpropyl)-2-[(3R)-pyrrolidin-3-yl]imidazo[4,5-c]pyridine (CID 97032975) is 3-(2-methylpropyl)-2-[(3R)-pyrrolidin-3-yl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 3-(2-methylpropyl)-2-[(3R)-pyrrolidin-3-yl]imidazo[4,5-c]pyridine?
The canonical SMILES for 3-(2-methylpropyl)-2-[(3R)-pyrrolidin-3-yl]imidazo[4,5-c]pyridine is CC(C)Cn1c([C@@H]2CCNC2)nc2ccncc21.
What is the InChIKey of 3-(2-methylpropyl)-2-[(3R)-pyrrolidin-3-yl]imidazo[4,5-c]pyridine?
The InChIKey is PYXXLYPXEQYXHR-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N4/c1-10(2)9-18-13-8-16-6-4-12(13)17-14(18)11-3-5-15-7-11/h4,6,8,10-11,15H,3,5,7,9H2,1-2H3/t11-/m1/s1.
What are the key properties of 3-(2-methylpropyl)-2-[(3R)-pyrrolidin-3-yl]imidazo[4,5-c]pyridine?
3-(2-methylpropyl)-2-[(3R)-pyrrolidin-3-yl]imidazo[4,5-c]pyridine has a molecular weight of 244.34 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-2-[(3R)-pyrrolidin-3-yl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 97032975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).