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

C26H33N5O — CID 58188947

IUPAC(2S)-2-benzyl-4-(1-cyclopentyl-3-ethylindazol-6-yl)piperazine-1-carboxamide
SMILESCCc1nn(C2CCCC2)c2cc(N3CCN(C(N)=O)[C@@H](Cc4ccccc4)C3)ccc12
InChIInChI=1S/C26H33N5O/c1-2-24-23-13-12-21(17-25(23)31(28-24)20-10-6-7-11-20)29-14-15-30(26(27)32)22(18-29)16-19-8-4-3-5-9-19/h3-5,8-9,12-13,17,20,22H,2,6-7,10-11,14-16,18H2,1H3,(H2,27,32)/t22-/m0/s1
InChIKeyWKXLUGULGPVCDB-QFIPXVFZSA-N
MW431.58 g/mol
LogP4.53
Rot. Bonds5

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

(2S)-2-benzyl-4-(1-cyclopentyl-3-ethylindazol-6-yl)piperazine-1-carboxamide (PubChem CID 58188947) has the molecular formula C26H33N5O and a molecular weight of 431.58 g/mol. Its IUPAC name is (2S)-2-benzyl-4-(1-cyclopentyl-3-ethylindazol-6-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-benzyl-4-(1-cyclopentyl-3-ethylindazol-6-yl)piperazine-1-carboxamide
PubChem CID58188947
Molecular FormulaC26H33N5O
Molecular Weight431.58 g/mol
Exact Mass431.27
IUPAC Name(2S)-2-benzyl-4-(1-cyclopentyl-3-ethylindazol-6-yl)piperazine-1-carboxamide
SMILESCCc1nn(C2CCCC2)c2cc(N3CCN(C(N)=O)[C@@H](Cc4ccccc4)C3)ccc12
InChIInChI=1S/C26H33N5O/c1-2-24-23-13-12-21(17-25(23)31(28-24)20-10-6-7-11-20)29-14-15-30(26(27)32)22(18-29)16-19-8-4-3-5-9-19/h3-5,8-9,12-13,17,20,22H,2,6-7,10-11,14-16,18H2,1H3,(H2,27,32)/t22-/m0/s1
InChIKeyWKXLUGULGPVCDB-QFIPXVFZSA-N
XLogP4.53
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-4-(1-cyclopentyl-3-methylindazol-6-yl)piperazine-1-carboxamide
CID 66826245
1-[(2S)-2-benzyl-4-(1-cyclopentyl-3-ethylindazol-6-yl)piperazin-1-yl]-2-(1H-imidazol-5-yl)ethanone
CID 58189192
6-[2-benzyl-4-(1-cyclobutyl-3-ethylindazol-6-yl)piperazin-1-yl]pyridin-2-amine
CID 67292784
2-benzyl-4-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]piperazine-1-carboxamide
CID 66826242
ethyl 4-[2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]-4-oxobutanoate
CID 123451512
1-[(2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]-2-methoxyethanone
CID 58189146
3-[2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]-3-oxopropanehydrazide
CID 66825417
1-[(2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]-2-(1H-imidazol-5-yl)ethanone
CID 58189217
4-[(2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]-N-methyl-4-oxobutanamide
CID 58189011
1-[2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]-2-pyrimidin-2-ylethanone
CID 67289879
1-[2-benzyl-4-(3-cyclobutyloxy-4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 66826219
N'-amino-3-[(2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]-3-oxopropanimidamide
CID 88582948

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzyl-4-(1-cyclopentyl-3-ethylindazol-6-yl)piperazine-1-carboxamide?
The IUPAC name of (2S)-2-benzyl-4-(1-cyclopentyl-3-ethylindazol-6-yl)piperazine-1-carboxamide (CID 58188947) is (2S)-2-benzyl-4-(1-cyclopentyl-3-ethylindazol-6-yl)piperazine-1-carboxamide.
What is the SMILES notation for (2S)-2-benzyl-4-(1-cyclopentyl-3-ethylindazol-6-yl)piperazine-1-carboxamide?
The canonical SMILES for (2S)-2-benzyl-4-(1-cyclopentyl-3-ethylindazol-6-yl)piperazine-1-carboxamide is CCc1nn(C2CCCC2)c2cc(N3CCN(C(N)=O)[C@@H](Cc4ccccc4)C3)ccc12.
What is the InChIKey of (2S)-2-benzyl-4-(1-cyclopentyl-3-ethylindazol-6-yl)piperazine-1-carboxamide?
The InChIKey is WKXLUGULGPVCDB-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H33N5O/c1-2-24-23-13-12-21(17-25(23)31(28-24)20-10-6-7-11-20)29-14-15-30(26(27)32)22(18-29)16-19-8-4-3-5-9-19/h3-5,8-9,12-13,17,20,22H,2,6-7,10-11,14-16,18H2,1H3,(H2,27,32)/t22-/m0/s1.
What are the key properties of (2S)-2-benzyl-4-(1-cyclopentyl-3-ethylindazol-6-yl)piperazine-1-carboxamide?
(2S)-2-benzyl-4-(1-cyclopentyl-3-ethylindazol-6-yl)piperazine-1-carboxamide has a molecular weight of 431.58 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzyl-4-(1-cyclopentyl-3-ethylindazol-6-yl)piperazine-1-carboxamide is sourced from PubChem (CID 58188947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).