1-[2-[(3-cyclohexyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)amino]-2-oxoethyl]piperidine-4-carboxamide

C24H29N5O3 — CID 5329637

IUPAC1-[2-[(3-cyclohexyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)amino]-2-oxoethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)Nc2cccc3c2C(=O)c2c-3n[nH]c2C2CCCCC2)CC1
InChIInChI=1S/C24H29N5O3/c25-24(32)15-9-11-29(12-10-15)13-18(30)26-17-8-4-7-16-19(17)23(31)20-21(27-28-22(16)20)14-5-2-1-3-6-14/h4,7-8,14-15H,1-3,5-6,9-13H2,(H2,25,32)(H,26,30)(H,27,28)
InChIKeySJTMBARMWBHQAM-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.80
Rot. Bonds5

About 1-[2-[(3-cyclohexyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)amino]-2-oxoethyl]piperidine-4-carboxamide

1-[2-[(3-cyclohexyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)amino]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 5329637) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 1-[2-[(3-cyclohexyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)amino]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(3-cyclohexyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)amino]-2-oxoethyl]piperidine-4-carboxamide
PubChem CID5329637
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name1-[2-[(3-cyclohexyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)amino]-2-oxoethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)Nc2cccc3c2C(=O)c2c-3n[nH]c2C2CCCCC2)CC1
InChIInChI=1S/C24H29N5O3/c25-24(32)15-9-11-29(12-10-15)13-18(30)26-17-8-4-7-16-19(17)23(31)20-21(27-28-22(16)20)14-5-2-1-3-6-14/h4,7-8,14-15H,1-3,5-6,9-13H2,(H2,25,32)(H,26,30)(H,27,28)
InChIKeySJTMBARMWBHQAM-UHFFFAOYSA-N
XLogP2.80
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-cyclohexyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)amino]-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[(3-cyclohexyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)amino]-2-oxoethyl]piperidine-4-carboxamide (CID 5329637) is 1-[2-[(3-cyclohexyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)amino]-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(3-cyclohexyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)amino]-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(3-cyclohexyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)amino]-2-oxoethyl]piperidine-4-carboxamide is NC(=O)C1CCN(CC(=O)Nc2cccc3c2C(=O)c2c-3n[nH]c2C2CCCCC2)CC1.
What is the InChIKey of 1-[2-[(3-cyclohexyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)amino]-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is SJTMBARMWBHQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c25-24(32)15-9-11-29(12-10-15)13-18(30)26-17-8-4-7-16-19(17)23(31)20-21(27-28-22(16)20)14-5-2-1-3-6-14/h4,7-8,14-15H,1-3,5-6,9-13H2,(H2,25,32)(H,26,30)(H,27,28).
What are the key properties of 1-[2-[(3-cyclohexyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)amino]-2-oxoethyl]piperidine-4-carboxamide?
1-[2-[(3-cyclohexyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)amino]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 2.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-cyclohexyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)amino]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 5329637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).