(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(2-pyridin-3-ylpyrimidin-5-yl)methanone

C20H20N6O — CID 31073625

IUPAC(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(2-pyridin-3-ylpyrimidin-5-yl)methanone
SMILESO=C(c1cnc(-c2cccnc2)nc1)N1CCc2[nH]nc(C3CCC3)c2C1
InChIInChI=1S/C20H20N6O/c27-20(15-10-22-19(23-11-15)14-5-2-7-21-9-14)26-8-6-17-16(12-26)18(25-24-17)13-3-1-4-13/h2,5,7,9-11,13H,1,3-4,6,8,12H2,(H,24,25)
InChIKeyKJLUSXNNHIQOAI-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.73
Rot. Bonds3

About (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(2-pyridin-3-ylpyrimidin-5-yl)methanone

(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(2-pyridin-3-ylpyrimidin-5-yl)methanone (PubChem CID 31073625) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(2-pyridin-3-ylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(2-pyridin-3-ylpyrimidin-5-yl)methanone
PubChem CID31073625
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(2-pyridin-3-ylpyrimidin-5-yl)methanone
SMILESO=C(c1cnc(-c2cccnc2)nc1)N1CCc2[nH]nc(C3CCC3)c2C1
InChIInChI=1S/C20H20N6O/c27-20(15-10-22-19(23-11-15)14-5-2-7-21-9-14)26-8-6-17-16(12-26)18(25-24-17)13-3-1-4-13/h2,5,7,9-11,13H,1,3-4,6,8,12H2,(H,24,25)
InChIKeyKJLUSXNNHIQOAI-UHFFFAOYSA-N
XLogP2.73
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone
CID 39826456
(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 72838770
(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-cycloheptylmethanone
CID 46984747
6-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-2-methylpyridazin-3-one
CID 31106795
(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-ethyl-1H-indol-2-yl)methanone
CID 142576923
pyridin-3-yl-[3-(2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110214397
2-(2-hydroxyethyl)-6-(2-pyridin-3-ylpyrimidine-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 72889489
[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-pyridin-3-ylmethanone
CID 108749983
N-(2-bromo-3-fluoro-4-pyridinyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121443404
1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 31003834
[(3R)-3-(4-fluorophenoxy)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 95140625
(2S)-1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one
CID 97271300

Frequently Asked Questions

What is the IUPAC name of (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(2-pyridin-3-ylpyrimidin-5-yl)methanone?
The IUPAC name of (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(2-pyridin-3-ylpyrimidin-5-yl)methanone (CID 31073625) is (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(2-pyridin-3-ylpyrimidin-5-yl)methanone.
What is the SMILES notation for (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(2-pyridin-3-ylpyrimidin-5-yl)methanone?
The canonical SMILES for (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(2-pyridin-3-ylpyrimidin-5-yl)methanone is O=C(c1cnc(-c2cccnc2)nc1)N1CCc2[nH]nc(C3CCC3)c2C1.
What is the InChIKey of (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(2-pyridin-3-ylpyrimidin-5-yl)methanone?
The InChIKey is KJLUSXNNHIQOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c27-20(15-10-22-19(23-11-15)14-5-2-7-21-9-14)26-8-6-17-16(12-26)18(25-24-17)13-3-1-4-13/h2,5,7,9-11,13H,1,3-4,6,8,12H2,(H,24,25).
What are the key properties of (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(2-pyridin-3-ylpyrimidin-5-yl)methanone?
(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(2-pyridin-3-ylpyrimidin-5-yl)methanone has a molecular weight of 360.42 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(2-pyridin-3-ylpyrimidin-5-yl)methanone is sourced from PubChem (CID 31073625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).