(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone

C19H24N6O — CID 126791461

IUPAC(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
SMILESCc1nn(C)c2ncc(C(=O)N3CCC(Cc4nccn4C)CC3)cc12
InChIInChI=1S/C19H24N6O/c1-13-16-11-15(12-21-18(16)24(3)22-13)19(26)25-7-4-14(5-8-25)10-17-20-6-9-23(17)2/h6,9,11-12,14H,4-5,7-8,10H2,1-3H3
InChIKeyQOLXHYFSZSAFCJ-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.11
Rot. Bonds3

About (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone

(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone (PubChem CID 126791461) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
PubChem CID126791461
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
SMILESCc1nn(C)c2ncc(C(=O)N3CCC(Cc4nccn4C)CC3)cc12
InChIInChI=1S/C19H24N6O/c1-13-16-11-15(12-21-18(16)24(3)22-13)19(26)25-7-4-14(5-8-25)10-17-20-6-9-23(17)2/h6,9,11-12,14H,4-5,7-8,10H2,1-3H3
InChIKeyQOLXHYFSZSAFCJ-UHFFFAOYSA-N
XLogP2.11
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119543986
(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119645490
1,4-diazepan-1-yl-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone
CID 119415537
N-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31327880
1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122117881
(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone
CID 95588132
(2S)-1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 61137578
(5-fluoro-2-hydroxyphenyl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 166230592
[3-(1-aminoethyl)piperidin-1-yl]-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone;dihydrochloride
CID 119594000
(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115875033
methyl 2-[1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperidin-2-yl]acetate
CID 78901742
1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl chloride
CID 45081942

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone (CID 126791461) is (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone is Cc1nn(C)c2ncc(C(=O)N3CCC(Cc4nccn4C)CC3)cc12.
What is the InChIKey of (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is QOLXHYFSZSAFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-13-16-11-15(12-21-18(16)24(3)22-13)19(26)25-7-4-14(5-8-25)10-17-20-6-9-23(17)2/h6,9,11-12,14H,4-5,7-8,10H2,1-3H3.
What are the key properties of (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone?
(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 352.44 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 126791461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).