(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methanone

C18H22N6O — CID 163312952

IUPAC(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc(C)n(C2CCN(C(=O)c3ccnc4c3nc(C)n4C)C2)n1
InChIInChI=1S/C18H22N6O/c1-11-9-12(2)24(21-11)14-6-8-23(10-14)18(25)15-5-7-19-17-16(15)20-13(3)22(17)4/h5,7,9,14H,6,8,10H2,1-4H3
InChIKeyXTYHCZVJSMFBPS-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.18
Rot. Bonds2

About (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methanone

(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methanone (PubChem CID 163312952) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methanone
PubChem CID163312952
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc(C)n(C2CCN(C(=O)c3ccnc4c3nc(C)n4C)C2)n1
InChIInChI=1S/C18H22N6O/c1-11-9-12(2)24(21-11)14-6-8-23(10-14)18(25)15-5-7-19-17-16(15)20-13(3)22(17)4/h5,7,9,14H,6,8,10H2,1-4H3
InChIKeyXTYHCZVJSMFBPS-UHFFFAOYSA-N
XLogP2.18
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 97284744
(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 163308956
[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 96576599
(3S)-3-(3,5-dimethylpyrazol-1-yl)-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 125161273
[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone
CID 95120636
[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 95978646
6-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carbonyl]-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 97141051
[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-indolizin-3-ylmethanone
CID 162628843
[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 50969651
[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone
CID 72929883
[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 118783319
1-[4-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 72895809

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methanone (CID 163312952) is (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methanone is Cc1cc(C)n(C2CCN(C(=O)c3ccnc4c3nc(C)n4C)C2)n1.
What is the InChIKey of (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methanone?
The InChIKey is XTYHCZVJSMFBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-11-9-12(2)24(21-11)14-6-8-23(10-14)18(25)15-5-7-19-17-16(15)20-13(3)22(17)4/h5,7,9,14H,6,8,10H2,1-4H3.
What are the key properties of (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methanone?
(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methanone has a molecular weight of 338.42 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 163312952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).