(1-methyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridin-7-yl)-pyridin-3-ylmethanone

C13H14N4O — CID 154848941

IUPAC(1-methyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridin-7-yl)-pyridin-3-ylmethanone
SMILESCn1ncc2c1N(C(=O)c1cccnc1)CCC2
InChIInChI=1S/C13H14N4O/c1-16-12-10(9-15-16)5-3-7-17(12)13(18)11-4-2-6-14-8-11/h2,4,6,8-9H,3,5,7H2,1H3
InChIKeyYWPDWKWXJAEYEE-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.41
Rot. Bonds1

About (1-methyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridin-7-yl)-pyridin-3-ylmethanone

(1-methyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridin-7-yl)-pyridin-3-ylmethanone (PubChem CID 154848941) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is (1-methyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridin-7-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(1-methyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridin-7-yl)-pyridin-3-ylmethanone
PubChem CID154848941
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name(1-methyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridin-7-yl)-pyridin-3-ylmethanone
SMILESCn1ncc2c1N(C(=O)c1cccnc1)CCC2
InChIInChI=1S/C13H14N4O/c1-16-12-10(9-15-16)5-3-7-17(12)13(18)11-4-2-6-14-8-11/h2,4,6,8-9H,3,5,7H2,1H3
InChIKeyYWPDWKWXJAEYEE-UHFFFAOYSA-N
XLogP1.41
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 110737710
1-(pyridine-3-carbonyl)piperidin-2-one
CID 18935202
[8-[4-(4-methylpiperazin-1-yl)butoxy]-3,4-dihydro-2H-quinolin-1-yl]-pyridin-3-ylmethanone
CID 14129268
4-methyl-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 112505958
1-(pyridine-3-carbonyl)imidazolidin-2-one
CID 57266793
6-oxo-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-1H-pyridine-3-carboxamide
CID 110623360
3,4-dihydro-2H-1,6-naphthyridin-1-yl-(3-methylphenyl)methanone;methane
CID 143489580
2,2-dimethyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 84550110
2-amino-2-methyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]propanamide
CID 119888320
N-[amino(3,4-dihydro-2H-quinolin-1-yl)methylidene]pyridine-3-carboxamide
CID 22149343
CID 157283677
CID 157283677
nickel;pyridine-3-carboxylic acid
CID 174049937

Frequently Asked Questions

What is the IUPAC name of (1-methyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridin-7-yl)-pyridin-3-ylmethanone?
The IUPAC name of (1-methyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridin-7-yl)-pyridin-3-ylmethanone (CID 154848941) is (1-methyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridin-7-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (1-methyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridin-7-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (1-methyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridin-7-yl)-pyridin-3-ylmethanone is Cn1ncc2c1N(C(=O)c1cccnc1)CCC2.
What is the InChIKey of (1-methyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridin-7-yl)-pyridin-3-ylmethanone?
The InChIKey is YWPDWKWXJAEYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-16-12-10(9-15-16)5-3-7-17(12)13(18)11-4-2-6-14-8-11/h2,4,6,8-9H,3,5,7H2,1H3.
What are the key properties of (1-methyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridin-7-yl)-pyridin-3-ylmethanone?
(1-methyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridin-7-yl)-pyridin-3-ylmethanone has a molecular weight of 242.28 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridin-7-yl)-pyridin-3-ylmethanone is sourced from PubChem (CID 154848941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).