3-[(3R)-1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one

C19H18N4O4 — CID 91909913

IUPAC3-[(3R)-1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n([C@@H]2CCN(C(=O)c3ccc4c(c3)OCO4)C2)c2ncccc21
InChIInChI=1S/C19H18N4O4/c1-21-14-3-2-7-20-17(14)23(19(21)25)13-6-8-22(10-13)18(24)12-4-5-15-16(9-12)27-11-26-15/h2-5,7,9,13H,6,8,10-11H2,1H3/t13-/m1/s1
InChIKeyQGVMJNBNPFGPST-CYBMUJFWSA-N
MW366.38 g/mol
LogP1.55
Rot. Bonds2

About 3-[(3R)-1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one

3-[(3R)-1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one (PubChem CID 91909913) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is 3-[(3R)-1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[(3R)-1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one
PubChem CID91909913
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Name3-[(3R)-1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n([C@@H]2CCN(C(=O)c3ccc4c(c3)OCO4)C2)c2ncccc21
InChIInChI=1S/C19H18N4O4/c1-21-14-3-2-7-20-17(14)23(19(21)25)13-6-8-22(10-13)18(24)12-4-5-15-16(9-12)27-11-26-15/h2-5,7,9,13H,6,8,10-11H2,1H3/t13-/m1/s1
InChIKeyQGVMJNBNPFGPST-CYBMUJFWSA-N
XLogP1.55
TPSA78.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-benzodioxol-5-yl-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 95108192
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one
CID 171141982
1,3-benzodioxol-5-yl-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81465868
1,3-benzodioxol-5-yl-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158283
1,3-benzodioxol-5-yl-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 100756704
7-methyl-9-[1-(pyridine-3-carbonyl)piperidin-4-yl]purin-8-one
CID 53181166
1,3-benzodioxol-5-yl-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 91627465
1,3-benzodioxol-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 110473360
1,3-benzodioxol-5-yl-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 127246578
(4-amino-3-methylpiperidin-1-yl)-(1,3-benzodioxol-5-yl)methanone;hydrochloride
CID 119592466
1,3-benzodioxol-5-yl-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]methanone
CID 124891027
1,3-benzodioxol-5-yl-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95338015

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[(3R)-1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one (CID 91909913) is 3-[(3R)-1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[(3R)-1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[(3R)-1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one is Cn1c(=O)n([C@@H]2CCN(C(=O)c3ccc4c(c3)OCO4)C2)c2ncccc21.
What is the InChIKey of 3-[(3R)-1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one?
The InChIKey is QGVMJNBNPFGPST-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-21-14-3-2-7-20-17(14)23(19(21)25)13-6-8-22(10-13)18(24)12-4-5-15-16(9-12)27-11-26-15/h2-5,7,9,13H,6,8,10-11H2,1H3/t13-/m1/s1.
What are the key properties of 3-[(3R)-1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one?
3-[(3R)-1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one has a molecular weight of 366.38 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 91909913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).