1-[3-(hydroxymethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-(2H-indazol-3-yl)propan-1-one

C17H19N5O2 — CID 166319079

IUPAC1-[3-(hydroxymethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-(2H-indazol-3-yl)propan-1-one
SMILESO=C(CCc1[nH]nc2ccccc12)N1CCc2c(CO)n[nH]c2C1
InChIInChI=1S/C17H19N5O2/c23-10-16-12-7-8-22(9-15(12)20-21-16)17(24)6-5-14-11-3-1-2-4-13(11)18-19-14/h1-4,23H,5-10H2,(H,18,19)(H,20,21)
InChIKeyJFSDTQOFGVYTIV-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.30
Rot. Bonds4

About 1-[3-(hydroxymethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-(2H-indazol-3-yl)propan-1-one

1-[3-(hydroxymethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-(2H-indazol-3-yl)propan-1-one (PubChem CID 166319079) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-(2H-indazol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-(2H-indazol-3-yl)propan-1-one
PubChem CID166319079
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name1-[3-(hydroxymethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-(2H-indazol-3-yl)propan-1-one
SMILESO=C(CCc1[nH]nc2ccccc12)N1CCc2c(CO)n[nH]c2C1
InChIInChI=1S/C17H19N5O2/c23-10-16-12-7-8-22(9-15(12)20-21-16)17(24)6-5-14-11-3-1-2-4-13(11)18-19-14/h1-4,23H,5-10H2,(H,18,19)(H,20,21)
InChIKeyJFSDTQOFGVYTIV-UHFFFAOYSA-N
XLogP1.30
TPSA97.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2H-indazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 166259361
2-(2H-indazol-3-yl)-1-piperazin-1-ylethanone;hydrochloride
CID 119402326
1-(3-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-quinazolin-4-yloxyethanone
CID 28881445
1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-3-(4-methylphenyl)propan-1-one
CID 84582003
1-(4-aminopiperidin-1-yl)-2-(2H-indazol-3-yl)ethanone
CID 119375250
1-(cyclopropylmethyl)-5-[2-(2H-indazol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56718588
1-[2-(2H-indazol-3-yl)acetyl]piperidine-4-carboxylic acid
CID 119166712
formic acid;N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-oxo-5-phenylpentanoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 171325141
3-(1H-indol-3-yl)-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one
CID 50957558
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 136663690
2-(2H-indazol-3-yl)-1-[2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 50980598
3-(2H-indazol-3-yl)-N-(5-methyl-2-oxooxolan-3-yl)propanamide
CID 166259655

Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-(2H-indazol-3-yl)propan-1-one?
The IUPAC name of 1-[3-(hydroxymethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-(2H-indazol-3-yl)propan-1-one (CID 166319079) is 1-[3-(hydroxymethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-(2H-indazol-3-yl)propan-1-one.
What is the SMILES notation for 1-[3-(hydroxymethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-(2H-indazol-3-yl)propan-1-one?
The canonical SMILES for 1-[3-(hydroxymethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-(2H-indazol-3-yl)propan-1-one is O=C(CCc1[nH]nc2ccccc12)N1CCc2c(CO)n[nH]c2C1.
What is the InChIKey of 1-[3-(hydroxymethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-(2H-indazol-3-yl)propan-1-one?
The InChIKey is JFSDTQOFGVYTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c23-10-16-12-7-8-22(9-15(12)20-21-16)17(24)6-5-14-11-3-1-2-4-13(11)18-19-14/h1-4,23H,5-10H2,(H,18,19)(H,20,21).
What are the key properties of 1-[3-(hydroxymethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-(2H-indazol-3-yl)propan-1-one?
1-[3-(hydroxymethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-(2H-indazol-3-yl)propan-1-one has a molecular weight of 325.37 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-(2H-indazol-3-yl)propan-1-one is sourced from PubChem (CID 166319079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).