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

C19H20N4O2 — CID 176504679

IUPAC[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
SMILESCn1cnc2cc(C(=O)N3CCC(Cc4cccc(O)c4)C3)cnc21
InChIInChI=1S/C19H20N4O2/c1-22-12-21-17-9-15(10-20-18(17)22)19(25)23-6-5-14(11-23)7-13-3-2-4-16(24)8-13/h2-4,8-10,12,14,24H,5-7,11H2,1H3
InChIKeyRJUJKBMMCDDARX-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.38
Rot. Bonds3

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

[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone (PubChem CID 176504679) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is [3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone.

Molecular Properties

Compound Name[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
PubChem CID176504679
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
SMILESCn1cnc2cc(C(=O)N3CCC(Cc4cccc(O)c4)C3)cnc21
InChIInChI=1S/C19H20N4O2/c1-22-12-21-17-9-15(10-20-18(17)22)19(25)23-6-5-14(11-23)7-13-3-2-4-16(24)8-13/h2-4,8-10,12,14,24H,5-7,11H2,1H3
InChIKeyRJUJKBMMCDDARX-UHFFFAOYSA-N
XLogP2.38
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 166615057
(3-methylimidazo[4,5-b]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 154860646
[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 166613031
[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 166622260
[1-(2-hydroxyethyl)benzimidazol-5-yl]-[3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 72918323
methyl 2-[4-[[1-[3-(2-methylpropyl)imidazo[4,5-b]pyridine-6-carbonyl]pyrrolidin-3-yl]methyl]phenyl]acetate
CID 176501074
[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 166614439
[3-(4-fluorophenoxy)pyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
CID 75503928
[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[3-[(4-methylphenyl)methylamino]phenyl]methanone
CID 166614914
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
CID 56911536
1-[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-2-piperidin-1-ylethanone
CID 166623031
[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

Frequently Asked Questions

What is the IUPAC name of [3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone?
The IUPAC name of [3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone (CID 176504679) is [3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone.
What is the SMILES notation for [3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone?
The canonical SMILES for [3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone is Cn1cnc2cc(C(=O)N3CCC(Cc4cccc(O)c4)C3)cnc21.
What is the InChIKey of [3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone?
The InChIKey is RJUJKBMMCDDARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-22-12-21-17-9-15(10-20-18(17)22)19(25)23-6-5-14(11-23)7-13-3-2-4-16(24)8-13/h2-4,8-10,12,14,24H,5-7,11H2,1H3.
What are the key properties of [3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone?
[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone has a molecular weight of 336.40 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone is sourced from PubChem (CID 176504679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).