4-[1-benzyl-5-(2-methylsulfanylpyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one

C25H26N6O3S — CID 26215448

IUPAC4-[1-benzyl-5-(2-methylsulfanylpyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one
SMILESCSc1ncccc1C(=O)N1CCc2c(c(C(=O)N3CCNC(=O)C3)nn2Cc2ccccc2)C1
InChIInChI=1S/C25H26N6O3S/c1-35-23-18(8-5-10-27-23)24(33)29-12-9-20-19(15-29)22(25(34)30-13-11-26-21(32)16-30)28-31(20)14-17-6-3-2-4-7-17/h2-8,10H,9,11-16H2,1H3,(H,26,32)
InChIKeyRWGNWULPTPMDSO-UHFFFAOYSA-N
MW490.59 g/mol
LogP1.82
Rot. Bonds5

About 4-[1-benzyl-5-(2-methylsulfanylpyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one

4-[1-benzyl-5-(2-methylsulfanylpyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one (PubChem CID 26215448) has the molecular formula C25H26N6O3S and a molecular weight of 490.59 g/mol. Its IUPAC name is 4-[1-benzyl-5-(2-methylsulfanylpyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[1-benzyl-5-(2-methylsulfanylpyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one
PubChem CID26215448
Molecular FormulaC25H26N6O3S
Molecular Weight490.59 g/mol
Exact Mass490.18
IUPAC Name4-[1-benzyl-5-(2-methylsulfanylpyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one
SMILESCSc1ncccc1C(=O)N1CCc2c(c(C(=O)N3CCNC(=O)C3)nn2Cc2ccccc2)C1
InChIInChI=1S/C25H26N6O3S/c1-35-23-18(8-5-10-27-23)24(33)29-12-9-20-19(15-29)22(25(34)30-13-11-26-21(32)16-30)28-31(20)14-17-6-3-2-4-7-17/h2-8,10H,9,11-16H2,1H3,(H,26,32)
InChIKeyRWGNWULPTPMDSO-UHFFFAOYSA-N
XLogP1.82
TPSA100.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[1-benzyl-5-[(1R)-2,2-diethylcyclopropanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one
CID 26133109
4-[1-benzyl-5-[(2R)-spiro[2.5]octane-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one
CID 26133114
1-[5-(2-fluorobenzoyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-1,4-diazepan-5-one
CID 26220473
4-[1-benzyl-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one
CID 26141606
4-[1-benzyl-5-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one
CID 26225867
1-[5-(3,3-dimethylbutanoyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-1,4-diazepan-5-one
CID 26227099
1-[5-(5-methylthiophene-2-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-1,4-diazepan-5-one
CID 26224554
1-[5-[(2S)-butan-2-yl]-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-1,4-diazepan-5-one
CID 26219349
ethyl 5-(2-methoxypyridine-3-carbonyl)-1-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26146857
1-[5-(2-cyclopentylacetyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-1,4-diazepan-5-one
CID 26227545
1-[5-[(5-methylfuran-2-yl)methyl]-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-1,4-diazepan-5-one
CID 26219960
5-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 146041099

Frequently Asked Questions

What is the IUPAC name of 4-[1-benzyl-5-(2-methylsulfanylpyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one?
The IUPAC name of 4-[1-benzyl-5-(2-methylsulfanylpyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one (CID 26215448) is 4-[1-benzyl-5-(2-methylsulfanylpyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[1-benzyl-5-(2-methylsulfanylpyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[1-benzyl-5-(2-methylsulfanylpyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one is CSc1ncccc1C(=O)N1CCc2c(c(C(=O)N3CCNC(=O)C3)nn2Cc2ccccc2)C1.
What is the InChIKey of 4-[1-benzyl-5-(2-methylsulfanylpyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one?
The InChIKey is RWGNWULPTPMDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3S/c1-35-23-18(8-5-10-27-23)24(33)29-12-9-20-19(15-29)22(25(34)30-13-11-26-21(32)16-30)28-31(20)14-17-6-3-2-4-7-17/h2-8,10H,9,11-16H2,1H3,(H,26,32).
What are the key properties of 4-[1-benzyl-5-(2-methylsulfanylpyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one?
4-[1-benzyl-5-(2-methylsulfanylpyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one has a molecular weight of 490.59 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-benzyl-5-(2-methylsulfanylpyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one is sourced from PubChem (CID 26215448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).