N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-5-methyl-1H-indazole-3-carboxamide

C20H26N4O2 — CID 56894877

IUPACN-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-5-methyl-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)NC3CC(=O)N(C4CCCCCC4)C3)c2c1
InChIInChI=1S/C20H26N4O2/c1-13-8-9-17-16(10-13)19(23-22-17)20(26)21-14-11-18(25)24(12-14)15-6-4-2-3-5-7-15/h8-10,14-15H,2-7,11-12H2,1H3,(H,21,26)(H,22,23)
InChIKeyVVHLFHRZWZETPV-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.92
Rot. Bonds3

About N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-5-methyl-1H-indazole-3-carboxamide

N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-5-methyl-1H-indazole-3-carboxamide (PubChem CID 56894877) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-5-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-5-methyl-1H-indazole-3-carboxamide
PubChem CID56894877
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-5-methyl-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)NC3CC(=O)N(C4CCCCCC4)C3)c2c1
InChIInChI=1S/C20H26N4O2/c1-13-8-9-17-16(10-13)19(23-22-17)20(26)21-14-11-18(25)24(12-14)15-6-4-2-3-5-7-15/h8-10,14-15H,2-7,11-12H2,1H3,(H,21,26)(H,22,23)
InChIKeyVVHLFHRZWZETPV-UHFFFAOYSA-N
XLogP2.92
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-5-methyl-1H-indazole-3-carboxamide?
The IUPAC name of N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-5-methyl-1H-indazole-3-carboxamide (CID 56894877) is N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-5-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-5-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-5-methyl-1H-indazole-3-carboxamide is Cc1ccc2[nH]nc(C(=O)NC3CC(=O)N(C4CCCCCC4)C3)c2c1.
What is the InChIKey of N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-5-methyl-1H-indazole-3-carboxamide?
The InChIKey is VVHLFHRZWZETPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-13-8-9-17-16(10-13)19(23-22-17)20(26)21-14-11-18(25)24(12-14)15-6-4-2-3-5-7-15/h8-10,14-15H,2-7,11-12H2,1H3,(H,21,26)(H,22,23).
What are the key properties of N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-5-methyl-1H-indazole-3-carboxamide?
N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-5-methyl-1H-indazole-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-5-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 56894877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).