[(3S)-1-[5-(4-chlorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

C25H30ClN5O3 — CID 95052842

IUPAC[(3S)-1-[5-(4-chlorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCn1nc(C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)c2c1CCN(C(=O)c1ccc(Cl)cc1)C2
InChIInChI=1S/C25H30ClN5O3/c1-28-21-10-14-31(23(32)17-6-8-19(26)9-7-17)16-20(21)22(27-28)25(34)30-13-4-5-18(15-30)24(33)29-11-2-3-12-29/h6-9,18H,2-5,10-16H2,1H3/t18-/m0/s1
InChIKeyOLZOQDGCEKAKEP-SFHVURJKSA-N
MW484.00 g/mol
LogP2.75
Rot. Bonds3

About [(3S)-1-[5-(4-chlorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

[(3S)-1-[5-(4-chlorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 95052842) has the molecular formula C25H30ClN5O3 and a molecular weight of 484.00 g/mol. Its IUPAC name is [(3S)-1-[5-(4-chlorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(3S)-1-[5-(4-chlorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID95052842
Molecular FormulaC25H30ClN5O3
Molecular Weight484.00 g/mol
Exact Mass483.20
IUPAC Name[(3S)-1-[5-(4-chlorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCn1nc(C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)c2c1CCN(C(=O)c1ccc(Cl)cc1)C2
InChIInChI=1S/C25H30ClN5O3/c1-28-21-10-14-31(23(32)17-6-8-19(26)9-7-17)16-20(21)22(27-28)25(34)30-13-4-5-18(15-30)24(33)29-11-2-3-12-29/h6-9,18H,2-5,10-16H2,1H3/t18-/m0/s1
InChIKeyOLZOQDGCEKAKEP-SFHVURJKSA-N
XLogP2.75
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.00
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3S)-1-[5-(4-chlorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

[1-[5-(2-chlorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 53018165
[(3S)-1-[5-(2-chlorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95052860
[1-(4-chlorobenzoyl)piperidin-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78769153
(3R)-1-[5-[2-(4-chlorophenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-cyclopropylpiperidine-3-carboxamide
CID 95052903
1-[5-(cyclopropanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 53018193
[1-(4-chlorobenzoyl)piperidin-3-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 42908642
(3S)-1-[5-(cyclobutanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N,N-diethylpiperidine-3-carboxamide
CID 95052867
(3S)-N-cyclopropyl-1-[5-(3-fluorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide
CID 93071496
[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorobenzoyl)piperidin-3-yl]methanone
CID 119410324
N-cyclopentyl-1-methyl-5-(4-piperidin-1-ylbenzoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26228822
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-chlorobenzoyl)piperidin-3-yl]methanone
CID 120658106
N-cyclopropyl-1-[1-methyl-5-(thiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-3-carboxamide
CID 53018181

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[5-(4-chlorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(3S)-1-[5-(4-chlorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 95052842) is [(3S)-1-[5-(4-chlorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(3S)-1-[5-(4-chlorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(3S)-1-[5-(4-chlorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is Cn1nc(C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)c2c1CCN(C(=O)c1ccc(Cl)cc1)C2.
What is the InChIKey of [(3S)-1-[5-(4-chlorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is OLZOQDGCEKAKEP-SFHVURJKSA-N. The full InChI is InChI=1S/C25H30ClN5O3/c1-28-21-10-14-31(23(32)17-6-8-19(26)9-7-17)16-20(21)22(27-28)25(34)30-13-4-5-18(15-30)24(33)29-11-2-3-12-29/h6-9,18H,2-5,10-16H2,1H3/t18-/m0/s1.
What are the key properties of [(3S)-1-[5-(4-chlorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
[(3S)-1-[5-(4-chlorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 484.00 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[5-(4-chlorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 95052842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).