(3-methylimidazo[4,5-b]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone

C18H18N4O — CID 154860646

IUPAC(3-methylimidazo[4,5-b]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone
SMILESCn1cnc2cc(C(=O)N3CCC(c4ccccc4)C3)cnc21
InChIInChI=1S/C18H18N4O/c1-21-12-20-16-9-15(10-19-17(16)21)18(23)22-8-7-14(11-22)13-5-3-2-4-6-13/h2-6,9-10,12,14H,7-8,11H2,1H3
InChIKeyRAJNALKGJVXWQY-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.60
Rot. Bonds2

About (3-methylimidazo[4,5-b]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone

(3-methylimidazo[4,5-b]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone (PubChem CID 154860646) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is (3-methylimidazo[4,5-b]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-methylimidazo[4,5-b]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone
PubChem CID154860646
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name(3-methylimidazo[4,5-b]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone
SMILESCn1cnc2cc(C(=O)N3CCC(c4ccccc4)C3)cnc21
InChIInChI=1S/C18H18N4O/c1-21-12-20-16-9-15(10-19-17(16)21)18(23)22-8-7-14(11-22)13-5-3-2-4-6-13/h2-6,9-10,12,14H,7-8,11H2,1H3
InChIKeyRAJNALKGJVXWQY-UHFFFAOYSA-N
XLogP2.60
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-phenylpyrrolidin-1-yl)-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 146124235
[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[3-(2-phenylethyl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176504399
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
CID 176504679
[3-(4-fluorophenoxy)pyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
CID 75503928
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
CID 56911536
1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]ethanone
CID 43926531
(1,2-dimethylbenzimidazol-5-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 46981412
N-[1-(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)pyrrolidin-3-yl]acetamide
CID 176505536
(3-phenylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 62069692
4-[1-(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)piperidin-4-yl]-1H-pyridin-2-one
CID 176506848
(3-methoxypyrrolidin-1-yl)-[3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176505470

Frequently Asked Questions

What is the IUPAC name of (3-methylimidazo[4,5-b]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-methylimidazo[4,5-b]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone (CID 154860646) is (3-methylimidazo[4,5-b]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-methylimidazo[4,5-b]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-methylimidazo[4,5-b]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone is Cn1cnc2cc(C(=O)N3CCC(c4ccccc4)C3)cnc21.
What is the InChIKey of (3-methylimidazo[4,5-b]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone?
The InChIKey is RAJNALKGJVXWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-21-12-20-16-9-15(10-19-17(16)21)18(23)22-8-7-14(11-22)13-5-3-2-4-6-13/h2-6,9-10,12,14H,7-8,11H2,1H3.
What are the key properties of (3-methylimidazo[4,5-b]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone?
(3-methylimidazo[4,5-b]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone has a molecular weight of 306.37 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylimidazo[4,5-b]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 154860646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).