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

C23H27N5O3 — CID 24817294

IUPACN-[2-[1-(5-methoxy-3-methyl-1H-indole-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCOc1ccc2[nH]c(C(=O)N3CCC(n4nccc4NC(=O)C4CC4)CC3)c(C)c2c1
InChIInChI=1S/C23H27N5O3/c1-14-18-13-17(31-2)5-6-19(18)25-21(14)23(30)27-11-8-16(9-12-27)28-20(7-10-24-28)26-22(29)15-3-4-15/h5-7,10,13,15-16,25H,3-4,8-9,11-12H2,1-2H3,(H,26,29)
InChIKeyTWJBKLCZXJKEHY-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.51
Rot. Bonds5

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

N-[2-[1-(5-methoxy-3-methyl-1H-indole-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (PubChem CID 24817294) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[2-[1-(5-methoxy-3-methyl-1H-indole-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-(5-methoxy-3-methyl-1H-indole-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
PubChem CID24817294
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC NameN-[2-[1-(5-methoxy-3-methyl-1H-indole-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCOc1ccc2[nH]c(C(=O)N3CCC(n4nccc4NC(=O)C4CC4)CC3)c(C)c2c1
InChIInChI=1S/C23H27N5O3/c1-14-18-13-17(31-2)5-6-19(18)25-21(14)23(30)27-11-8-16(9-12-27)28-20(7-10-24-28)26-22(29)15-3-4-15/h5-7,10,13,15-16,25H,3-4,8-9,11-12H2,1-2H3,(H,26,29)
InChIKeyTWJBKLCZXJKEHY-UHFFFAOYSA-N
XLogP3.51
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Atevirdine
CID 60848
N-[(3-methoxyphenyl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide
CID 52933916
N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide
CID 52934379
(1R*,2S*)-5'-methoxy-2-(3-(6-(4-methylpiperazin-1-yl)pyridin-3-yl)-1H-indazol-6-yl)spiro[cyclopropane-1,3'-indolin]-2'-one
CID 58486157
(1R*,2S*)-5'-methoxy-2-(3-((E)-2-(6-(4-methylpiperazin-1-yl)pyridin-3-yl)vinyl)-1H-indazol-6-yl)spiro[cyclopropane-1,3'-indolin]-2'-one
CID 58486268
N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 54765280
8-methoxy-3-(pyridin-4-ylmethyl)-5H-pyrimido[5,4-b]indol-4-one
CID 914878
[4-[3-(isopropylamino)-2-pyridyl]piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
CID 453219
N-cyclopropyl-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 52934381
N-[(3-methoxyphenyl)methyl]-6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 52936149
N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 54765203
1-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide
CID 57394242

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(5-methoxy-3-methyl-1H-indole-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-(5-methoxy-3-methyl-1H-indole-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (CID 24817294) is N-[2-[1-(5-methoxy-3-methyl-1H-indole-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-(5-methoxy-3-methyl-1H-indole-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-(5-methoxy-3-methyl-1H-indole-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is COc1ccc2[nH]c(C(=O)N3CCC(n4nccc4NC(=O)C4CC4)CC3)c(C)c2c1.
What is the InChIKey of N-[2-[1-(5-methoxy-3-methyl-1H-indole-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The InChIKey is TWJBKLCZXJKEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-14-18-13-17(31-2)5-6-19(18)25-21(14)23(30)27-11-8-16(9-12-27)28-20(7-10-24-28)26-22(29)15-3-4-15/h5-7,10,13,15-16,25H,3-4,8-9,11-12H2,1-2H3,(H,26,29).
What are the key properties of N-[2-[1-(5-methoxy-3-methyl-1H-indole-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
N-[2-[1-(5-methoxy-3-methyl-1H-indole-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide has a molecular weight of 421.50 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(5-methoxy-3-methyl-1H-indole-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 24817294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).