2-benzyl-4-(1-cyclopentyl-3-methylindazol-6-yl)piperazine-1-carboxamide

C25H31N5O — CID 66826245

IUPAC2-benzyl-4-(1-cyclopentyl-3-methylindazol-6-yl)piperazine-1-carboxamide
SMILESCc1nn(C2CCCC2)c2cc(N3CCN(C(N)=O)C(Cc4ccccc4)C3)ccc12
InChIInChI=1S/C25H31N5O/c1-18-23-12-11-21(16-24(23)30(27-18)20-9-5-6-10-20)28-13-14-29(25(26)31)22(17-28)15-19-7-3-2-4-8-19/h2-4,7-8,11-12,16,20,22H,5-6,9-10,13-15,17H2,1H3,(H2,26,31)
InChIKeyHJSVWVWNSBOHFV-UHFFFAOYSA-N
MW417.56 g/mol
LogP4.27
Rot. Bonds4

About 2-benzyl-4-(1-cyclopentyl-3-methylindazol-6-yl)piperazine-1-carboxamide

2-benzyl-4-(1-cyclopentyl-3-methylindazol-6-yl)piperazine-1-carboxamide (PubChem CID 66826245) has the molecular formula C25H31N5O and a molecular weight of 417.56 g/mol. Its IUPAC name is 2-benzyl-4-(1-cyclopentyl-3-methylindazol-6-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name2-benzyl-4-(1-cyclopentyl-3-methylindazol-6-yl)piperazine-1-carboxamide
PubChem CID66826245
Molecular FormulaC25H31N5O
Molecular Weight417.56 g/mol
Exact Mass417.25
IUPAC Name2-benzyl-4-(1-cyclopentyl-3-methylindazol-6-yl)piperazine-1-carboxamide
SMILESCc1nn(C2CCCC2)c2cc(N3CCN(C(N)=O)C(Cc4ccccc4)C3)ccc12
InChIInChI=1S/C25H31N5O/c1-18-23-12-11-21(16-24(23)30(27-18)20-9-5-6-10-20)28-13-14-29(25(26)31)22(17-28)15-19-7-3-2-4-8-19/h2-4,7-8,11-12,16,20,22H,5-6,9-10,13-15,17H2,1H3,(H2,26,31)
InChIKeyHJSVWVWNSBOHFV-UHFFFAOYSA-N
XLogP4.27
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-(1-cyclopentyl-3-methylindazol-6-yl)piperazine-1-carboxamide?
The IUPAC name of 2-benzyl-4-(1-cyclopentyl-3-methylindazol-6-yl)piperazine-1-carboxamide (CID 66826245) is 2-benzyl-4-(1-cyclopentyl-3-methylindazol-6-yl)piperazine-1-carboxamide.
What is the SMILES notation for 2-benzyl-4-(1-cyclopentyl-3-methylindazol-6-yl)piperazine-1-carboxamide?
The canonical SMILES for 2-benzyl-4-(1-cyclopentyl-3-methylindazol-6-yl)piperazine-1-carboxamide is Cc1nn(C2CCCC2)c2cc(N3CCN(C(N)=O)C(Cc4ccccc4)C3)ccc12.
What is the InChIKey of 2-benzyl-4-(1-cyclopentyl-3-methylindazol-6-yl)piperazine-1-carboxamide?
The InChIKey is HJSVWVWNSBOHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O/c1-18-23-12-11-21(16-24(23)30(27-18)20-9-5-6-10-20)28-13-14-29(25(26)31)22(17-28)15-19-7-3-2-4-8-19/h2-4,7-8,11-12,16,20,22H,5-6,9-10,13-15,17H2,1H3,(H2,26,31).
What are the key properties of 2-benzyl-4-(1-cyclopentyl-3-methylindazol-6-yl)piperazine-1-carboxamide?
2-benzyl-4-(1-cyclopentyl-3-methylindazol-6-yl)piperazine-1-carboxamide has a molecular weight of 417.56 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-(1-cyclopentyl-3-methylindazol-6-yl)piperazine-1-carboxamide is sourced from PubChem (CID 66826245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).