3-[(2,6-dichlorophenyl)methyl]-5-[methyl-[(3R)-pyrrolidin-3-yl]amino]-1H-imidazo[4,5-b]pyridin-2-one

C18H19Cl2N5O — CID 67341785

IUPAC3-[(2,6-dichlorophenyl)methyl]-5-[methyl-[(3R)-pyrrolidin-3-yl]amino]-1H-imidazo[4,5-b]pyridin-2-one
SMILESCN(c1ccc2[nH]c(=O)n(Cc3c(Cl)cccc3Cl)c2n1)[C@@H]1CCNC1
InChIInChI=1S/C18H19Cl2N5O/c1-24(11-7-8-21-9-11)16-6-5-15-17(23-16)25(18(26)22-15)10-12-13(19)3-2-4-14(12)20/h2-6,11,21H,7-10H2,1H3,(H,22,26)/t11-/m1/s1
InChIKeyAFBNSJHFAUWWMS-LLVKDONJSA-N
MW392.29 g/mol
LogP2.88
Rot. Bonds4

About 3-[(2,6-dichlorophenyl)methyl]-5-[methyl-[(3R)-pyrrolidin-3-yl]amino]-1H-imidazo[4,5-b]pyridin-2-one

3-[(2,6-dichlorophenyl)methyl]-5-[methyl-[(3R)-pyrrolidin-3-yl]amino]-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 67341785) has the molecular formula C18H19Cl2N5O and a molecular weight of 392.29 g/mol. Its IUPAC name is 3-[(2,6-dichlorophenyl)methyl]-5-[methyl-[(3R)-pyrrolidin-3-yl]amino]-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[(2,6-dichlorophenyl)methyl]-5-[methyl-[(3R)-pyrrolidin-3-yl]amino]-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID67341785
Molecular FormulaC18H19Cl2N5O
Molecular Weight392.29 g/mol
Exact Mass391.10
IUPAC Name3-[(2,6-dichlorophenyl)methyl]-5-[methyl-[(3R)-pyrrolidin-3-yl]amino]-1H-imidazo[4,5-b]pyridin-2-one
SMILESCN(c1ccc2[nH]c(=O)n(Cc3c(Cl)cccc3Cl)c2n1)[C@@H]1CCNC1
InChIInChI=1S/C18H19Cl2N5O/c1-24(11-7-8-21-9-11)16-6-5-15-17(23-16)25(18(26)22-15)10-12-13(19)3-2-4-14(12)20/h2-6,11,21H,7-10H2,1H3,(H,22,26)/t11-/m1/s1
InChIKeyAFBNSJHFAUWWMS-LLVKDONJSA-N
XLogP2.88
TPSA65.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-3-propylimidazol-2-one
CID 137368591
7-[(3R)-3-aminopiperidin-1-yl]-1-[(2-chlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one
CID 53311223
1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-3-ethylimidazol-2-one
CID 137368741
Imidazole derivative 6
CID 11541445
6-amino-2-(butylamino)-9-[(2,6-dichloro-3-pyridinyl)methyl]-7H-purin-8-one
CID 11696620
3-(3-Chloro-2-methylphenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 12445574
6-amino-2-(butylamino)-9-[(2-chloro-6-methyl-3-pyridinyl)methyl]-7H-purin-8-one
CID 22928907
6-(5-Chloro-2-methylanilino)-1-cyclopentyl-3-methylimidazo[4,5-c]pyridin-2-one
CID 163219959
6-(4-Chloro-2-methylanilino)-1-cyclopentyl-3-methylimidazo[4,5-c]pyridin-2-one
CID 163220106
6-(3-Chloro-2-methylanilino)-1-cyclopentyl-3-methylimidazo[4,5-c]pyridin-2-one
CID 163220210
(4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-1-(3-methyl-2-pyridinyl)-2-oxoimidazolidine-4-carboxamide
CID 71461570
(4S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-(6-methyl-2-pyridinyl)-2-oxoimidazolidine-4-carboxamide
CID 71463309

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorophenyl)methyl]-5-[methyl-[(3R)-pyrrolidin-3-yl]amino]-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[(2,6-dichlorophenyl)methyl]-5-[methyl-[(3R)-pyrrolidin-3-yl]amino]-1H-imidazo[4,5-b]pyridin-2-one (CID 67341785) is 3-[(2,6-dichlorophenyl)methyl]-5-[methyl-[(3R)-pyrrolidin-3-yl]amino]-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[(2,6-dichlorophenyl)methyl]-5-[methyl-[(3R)-pyrrolidin-3-yl]amino]-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[(2,6-dichlorophenyl)methyl]-5-[methyl-[(3R)-pyrrolidin-3-yl]amino]-1H-imidazo[4,5-b]pyridin-2-one is CN(c1ccc2[nH]c(=O)n(Cc3c(Cl)cccc3Cl)c2n1)[C@@H]1CCNC1.
What is the InChIKey of 3-[(2,6-dichlorophenyl)methyl]-5-[methyl-[(3R)-pyrrolidin-3-yl]amino]-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is AFBNSJHFAUWWMS-LLVKDONJSA-N. The full InChI is InChI=1S/C18H19Cl2N5O/c1-24(11-7-8-21-9-11)16-6-5-15-17(23-16)25(18(26)22-15)10-12-13(19)3-2-4-14(12)20/h2-6,11,21H,7-10H2,1H3,(H,22,26)/t11-/m1/s1.
What are the key properties of 3-[(2,6-dichlorophenyl)methyl]-5-[methyl-[(3R)-pyrrolidin-3-yl]amino]-1H-imidazo[4,5-b]pyridin-2-one?
3-[(2,6-dichlorophenyl)methyl]-5-[methyl-[(3R)-pyrrolidin-3-yl]amino]-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 392.29 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichlorophenyl)methyl]-5-[methyl-[(3R)-pyrrolidin-3-yl]amino]-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 67341785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).