1-[5-(cyclopropanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-phenylpiperidine-3-carboxamide

C24H29N5O3 — CID 53018193

IUPAC1-[5-(cyclopropanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-phenylpiperidine-3-carboxamide
SMILESCn1nc(C(=O)N2CCCC(C(=O)Nc3ccccc3)C2)c2c1CCN(C(=O)C1CC1)C2
InChIInChI=1S/C24H29N5O3/c1-27-20-11-13-29(23(31)16-9-10-16)15-19(20)21(26-27)24(32)28-12-5-6-17(14-28)22(30)25-18-7-3-2-4-8-18/h2-4,7-8,16-17H,5-6,9-15H2,1H3,(H,25,30)
InChIKeyDIMSVZUONWNNBM-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.21
Rot. Bonds4

About 1-[5-(cyclopropanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-phenylpiperidine-3-carboxamide

1-[5-(cyclopropanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-phenylpiperidine-3-carboxamide (PubChem CID 53018193) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 1-[5-(cyclopropanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-(cyclopropanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-phenylpiperidine-3-carboxamide
PubChem CID53018193
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name1-[5-(cyclopropanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-phenylpiperidine-3-carboxamide
SMILESCn1nc(C(=O)N2CCCC(C(=O)Nc3ccccc3)C2)c2c1CCN(C(=O)C1CC1)C2
InChIInChI=1S/C24H29N5O3/c1-27-20-11-13-29(23(31)16-9-10-16)15-19(20)21(26-27)24(32)28-12-5-6-17(14-28)22(30)25-18-7-3-2-4-8-18/h2-4,7-8,16-17H,5-6,9-15H2,1H3,(H,25,30)
InChIKeyDIMSVZUONWNNBM-UHFFFAOYSA-N
XLogP2.21
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
(3S)-1-[5-(2-methoxyacetyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-(2-methylphenyl)piperidine-3-carboxamide
CID 93071525
(3R)-1-[1-methyl-5-(3-methylbutanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-(2-methylphenyl)piperidine-3-carboxamide
CID 95052948
(3S)-1-[5-(cyclobutanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N,N-diethylpiperidine-3-carboxamide
CID 95052867
(3R)-1-(1-methyl-5-pentanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl)-N-(2-methylphenyl)piperidine-3-carboxamide
CID 95052953
[(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
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46653762
(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
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
1-(6-methylpyridine-3-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 18149048
1-[5-(cyclobutanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-ethylpiperidine-4-carboxamide
CID 50831077

Frequently Asked Questions

What is the IUPAC name of 1-[5-(cyclopropanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-[5-(cyclopropanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-phenylpiperidine-3-carboxamide (CID 53018193) is 1-[5-(cyclopropanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[5-(cyclopropanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-[5-(cyclopropanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-phenylpiperidine-3-carboxamide is Cn1nc(C(=O)N2CCCC(C(=O)Nc3ccccc3)C2)c2c1CCN(C(=O)C1CC1)C2.
What is the InChIKey of 1-[5-(cyclopropanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is DIMSVZUONWNNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-27-20-11-13-29(23(31)16-9-10-16)15-19(20)21(26-27)24(32)28-12-5-6-17(14-28)22(30)25-18-7-3-2-4-8-18/h2-4,7-8,16-17H,5-6,9-15H2,1H3,(H,25,30).
What are the key properties of 1-[5-(cyclopropanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-phenylpiperidine-3-carboxamide?
1-[5-(cyclopropanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(cyclopropanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 53018193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).