4-[6-methoxy-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1,3-dimethylpiperazin-2-one

C17H21N7O2 — CID 155484485

IUPAC4-[6-methoxy-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1,3-dimethylpiperazin-2-one
SMILESCOc1cc2[nH]nc(-c3cnn(C)c3)c2nc1N1CCN(C)C(=O)C1C
InChIInChI=1S/C17H21N7O2/c1-10-17(25)22(2)5-6-24(10)16-13(26-4)7-12-15(19-16)14(21-20-12)11-8-18-23(3)9-11/h7-10H,5-6H2,1-4H3,(H,20,21)
InChIKeyVIHVULWAUDADKR-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.03
Rot. Bonds3

About 4-[6-methoxy-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1,3-dimethylpiperazin-2-one

4-[6-methoxy-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1,3-dimethylpiperazin-2-one (PubChem CID 155484485) has the molecular formula C17H21N7O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 4-[6-methoxy-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[6-methoxy-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1,3-dimethylpiperazin-2-one
PubChem CID155484485
Molecular FormulaC17H21N7O2
Molecular Weight355.40 g/mol
Exact Mass355.18
IUPAC Name4-[6-methoxy-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1,3-dimethylpiperazin-2-one
SMILESCOc1cc2[nH]nc(-c3cnn(C)c3)c2nc1N1CCN(C)C(=O)C1C
InChIInChI=1S/C17H21N7O2/c1-10-17(25)22(2)5-6-24(10)16-13(26-4)7-12-15(19-16)14(21-20-12)11-8-18-23(3)9-11/h7-10H,5-6H2,1-4H3,(H,20,21)
InChIKeyVIHVULWAUDADKR-UHFFFAOYSA-N
XLogP1.03
TPSA92.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-cyclopropyl-3-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one
CID 155484442
1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-(oxan-4-yl)piperazin-2-one
CID 155484486
1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one
CID 71253757
(3S)-4-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-1,3-dimethylpiperazin-2-one
CID 95206781
8-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-3-propan-2-yl-3-azabicyclo[3.2.1]octan-2-one
CID 171357812
methyl 3-(1-methylpyrazol-4-yl)-1H-thieno[3,2-c]pyrazole-5-carboxylate
CID 141345472
3-(1-methylpyrazol-4-yl)-1H-indazole-4-carboxylic acid
CID 39220103
1-[6-methoxy-3-[6-(1-methyl-5-oxopyrrolidin-3-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,3-dihydroindene-1-carbonitrile
CID 175870662
5-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine
CID 177296637
2-[4-[5-(2-fluoro-6-methoxyphenyl)-6-oxo-1H-pyrazolo[4,3-c]pyridazin-3-yl]pyrazol-1-yl]propanenitrile
CID 167062582
N-ethyl-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine
CID 138715676
4-chloro-3,5-bis(1-methylpyrazol-4-yl)-1H-pyrazole;hydrochloride
CID 90481352

Frequently Asked Questions

What is the IUPAC name of 4-[6-methoxy-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[6-methoxy-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1,3-dimethylpiperazin-2-one (CID 155484485) is 4-[6-methoxy-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[6-methoxy-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[6-methoxy-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1,3-dimethylpiperazin-2-one is COc1cc2[nH]nc(-c3cnn(C)c3)c2nc1N1CCN(C)C(=O)C1C.
What is the InChIKey of 4-[6-methoxy-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1,3-dimethylpiperazin-2-one?
The InChIKey is VIHVULWAUDADKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O2/c1-10-17(25)22(2)5-6-24(10)16-13(26-4)7-12-15(19-16)14(21-20-12)11-8-18-23(3)9-11/h7-10H,5-6H2,1-4H3,(H,20,21).
What are the key properties of 4-[6-methoxy-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1,3-dimethylpiperazin-2-one?
4-[6-methoxy-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1,3-dimethylpiperazin-2-one has a molecular weight of 355.40 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methoxy-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1,3-dimethylpiperazin-2-one is sourced from PubChem (CID 155484485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).