N-[2-[1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

C23H27N5O2 — CID 26331178

IUPACN-[2-[1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCc1[nH]c2ccc(C(=O)N3CCC(n4nccc4NC(=O)C4CC4)CC3)cc2c1C
InChIInChI=1S/C23H27N5O2/c1-14-15(2)25-20-6-5-17(13-19(14)20)23(30)27-11-8-18(9-12-27)28-21(7-10-24-28)26-22(29)16-3-4-16/h5-7,10,13,16,18,25H,3-4,8-9,11-12H2,1-2H3,(H,26,29)
InChIKeyOWJMNWJBYFKSKG-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.81
Rot. Bonds4

About N-[2-[1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

N-[2-[1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (PubChem CID 26331178) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[2-[1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
PubChem CID26331178
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-[2-[1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCc1[nH]c2ccc(C(=O)N3CCC(n4nccc4NC(=O)C4CC4)CC3)cc2c1C
InChIInChI=1S/C23H27N5O2/c1-14-15(2)25-20-6-5-17(13-19(14)20)23(30)27-11-8-18(9-12-27)28-21(7-10-24-28)26-22(29)16-3-4-16/h5-7,10,13,16,18,25H,3-4,8-9,11-12H2,1-2H3,(H,26,29)
InChIKeyOWJMNWJBYFKSKG-UHFFFAOYSA-N
XLogP3.81
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[2-[1-(4-chlorobenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 24819283
N-[2-[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 56739146
(2,3-dimethyl-1H-indol-5-yl)-(4-methylazepan-1-yl)methanone
CID 62046658
N-(2-cyclohexylpyrazol-3-yl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 134048496
(2,3-dimethyl-1H-indol-5-yl)-thiomorpholin-4-ylmethanone
CID 43581955
N-[2-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 24817087
(2,3-dimethyl-1H-indol-5-yl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103536921
(3R)-N-[2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 25297135
N-[2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 24793292
N-[2-[1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 29185071
(3R)-1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-3-carboxamide
CID 94784044
(2,3-dimethyl-1H-indol-5-yl)-(2-methylpiperidin-1-yl)methanone
CID 43397948

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (CID 26331178) is N-[2-[1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is Cc1[nH]c2ccc(C(=O)N3CCC(n4nccc4NC(=O)C4CC4)CC3)cc2c1C.
What is the InChIKey of N-[2-[1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The InChIKey is OWJMNWJBYFKSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-14-15(2)25-20-6-5-17(13-19(14)20)23(30)27-11-8-18(9-12-27)28-21(7-10-24-28)26-22(29)16-3-4-16/h5-7,10,13,16,18,25H,3-4,8-9,11-12H2,1-2H3,(H,26,29).
What are the key properties of N-[2-[1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
N-[2-[1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 26331178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).