7-ethyl-5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-2H-indazole-3-carboxamide

C23H33N5O2 — CID 21102084

IUPAC7-ethyl-5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-2H-indazole-3-carboxamide
SMILESCCc1cc(CCC(=O)N2CCC(N3CCCCC3)CC2)cc2c(C(N)=O)[nH]nc12
InChIInChI=1S/C23H33N5O2/c1-2-17-14-16(15-19-21(17)25-26-22(19)23(24)30)6-7-20(29)28-12-8-18(9-13-28)27-10-4-3-5-11-27/h14-15,18H,2-13H2,1H3,(H2,24,30)(H,25,26)
InChIKeySJRBRLVHBFDMRC-UHFFFAOYSA-N
MW411.55 g/mol
LogP2.63
Rot. Bonds6

About 7-ethyl-5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-2H-indazole-3-carboxamide

7-ethyl-5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-2H-indazole-3-carboxamide (PubChem CID 21102084) has the molecular formula C23H33N5O2 and a molecular weight of 411.55 g/mol. Its IUPAC name is 7-ethyl-5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-2H-indazole-3-carboxamide.

Molecular Properties

Compound Name7-ethyl-5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-2H-indazole-3-carboxamide
PubChem CID21102084
Molecular FormulaC23H33N5O2
Molecular Weight411.55 g/mol
Exact Mass411.26
IUPAC Name7-ethyl-5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-2H-indazole-3-carboxamide
SMILESCCc1cc(CCC(=O)N2CCC(N3CCCCC3)CC2)cc2c(C(N)=O)[nH]nc12
InChIInChI=1S/C23H33N5O2/c1-2-17-14-16(15-19-21(17)25-26-22(19)23(24)30)6-7-20(29)28-12-8-18(9-13-28)27-10-4-3-5-11-27/h14-15,18H,2-13H2,1H3,(H2,24,30)(H,25,26)
InChIKeySJRBRLVHBFDMRC-UHFFFAOYSA-N
XLogP2.63
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(7-methyl-1H-indazol-5-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 91382816
4-chloro-2-oxo-6-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-3H-benzimidazole-1-carboxamide
CID 21102082
4-[1-[3-(3,4-diethylphenyl)propanoyl]piperidin-4-yl]piperazine-1-carboxamide
CID 173094944
[5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]pyrimidin-2-yl] carbamate
CID 21102009
4-[4-[3-(2H-benzotriazol-5-yl)propanoyl]piperazin-1-yl]piperidine-1-carboxamide
CID 18452009
3-(1,3-benzodioxol-5-yl)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one;1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one
CID 158332053
1-[4-(azepan-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 110667113
1-(4-cyclohexylpiperazin-1-yl)-3-(7-methyl-1H-indazol-5-yl)propan-1-one
CID 91807907
2-(4-aminophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 119842927
2-(4-fluorophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 110868488
4-(3,4-dimethoxyphenyl)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one
CID 22054664
1-[4-(azepan-1-yl)piperidin-1-yl]-2-phenylethanone
CID 1121449

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-2H-indazole-3-carboxamide?
The IUPAC name of 7-ethyl-5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-2H-indazole-3-carboxamide (CID 21102084) is 7-ethyl-5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-2H-indazole-3-carboxamide.
What is the SMILES notation for 7-ethyl-5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-2H-indazole-3-carboxamide?
The canonical SMILES for 7-ethyl-5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-2H-indazole-3-carboxamide is CCc1cc(CCC(=O)N2CCC(N3CCCCC3)CC2)cc2c(C(N)=O)[nH]nc12.
What is the InChIKey of 7-ethyl-5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-2H-indazole-3-carboxamide?
The InChIKey is SJRBRLVHBFDMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2/c1-2-17-14-16(15-19-21(17)25-26-22(19)23(24)30)6-7-20(29)28-12-8-18(9-13-28)27-10-4-3-5-11-27/h14-15,18H,2-13H2,1H3,(H2,24,30)(H,25,26).
What are the key properties of 7-ethyl-5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-2H-indazole-3-carboxamide?
7-ethyl-5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-2H-indazole-3-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-2H-indazole-3-carboxamide is sourced from PubChem (CID 21102084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).