N-[[1-(2,3-dimethylphenyl)indazol-5-yl]methyl]-2-propylpentanamide

C24H31N3O — CID 45270944

IUPACN-[[1-(2,3-dimethylphenyl)indazol-5-yl]methyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccc(C)c2C)c1
InChIInChI=1S/C24H31N3O/c1-5-8-20(9-6-2)24(28)25-15-19-12-13-23-21(14-19)16-26-27(23)22-11-7-10-17(3)18(22)4/h7,10-14,16,20H,5-6,8-9,15H2,1-4H3,(H,25,28)
InChIKeyHVOPXEDYTXZCJZ-UHFFFAOYSA-N
MW377.53 g/mol
LogP5.47
Rot. Bonds8

About N-[[1-(2,3-dimethylphenyl)indazol-5-yl]methyl]-2-propylpentanamide

N-[[1-(2,3-dimethylphenyl)indazol-5-yl]methyl]-2-propylpentanamide (PubChem CID 45270944) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is N-[[1-(2,3-dimethylphenyl)indazol-5-yl]methyl]-2-propylpentanamide.

Molecular Properties

Compound NameN-[[1-(2,3-dimethylphenyl)indazol-5-yl]methyl]-2-propylpentanamide
PubChem CID45270944
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC NameN-[[1-(2,3-dimethylphenyl)indazol-5-yl]methyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccc(C)c2C)c1
InChIInChI=1S/C24H31N3O/c1-5-8-20(9-6-2)24(28)25-15-19-12-13-23-21(14-19)16-26-27(23)22-11-7-10-17(3)18(22)4/h7,10-14,16,20H,5-6,8-9,15H2,1-4H3,(H,25,28)
InChIKeyHVOPXEDYTXZCJZ-UHFFFAOYSA-N
XLogP5.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 24958200
2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide
CID 24958198
(R)-4-methyl-6-(1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl)-4,5-dihydro-1H-benzo[b][1,4]diazepin-2(3H)-one
CID 121271792
(4r)-6-(3-Cyclopropyl-1-Methyl-1h-Indazol-5-Yl)-4-Methyl-1,3,4,5-Tetrahydro-2h-1,5-Benzodiazepin-2-One
CID 121271781
1-[1-(cyclopropylmethyl)-3-(1H-indol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-one
CID 132186817
N-[2-(2-methyl-2,6,7,8-tetrahydrocyclopenta[e] indazol-8-yl)ethyl]propanamide
CID 25024912
N-[2-(2-methyl-2,6,7,8-tetrahydrocyclopenta[e]indazol-8-yl)ethyl]acetamide
CID 59145872
3,3,3-trifluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]propanamide
CID 59251119
c-Niraparib
CID 124081212
N-(3,4-dimethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850328
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-phenylbutanamide
CID 4887123
N-(2,4-dimethylphenyl)-4-methyl-1H-indazole-1-carboxamide
CID 16016793

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dimethylphenyl)indazol-5-yl]methyl]-2-propylpentanamide?
The IUPAC name of N-[[1-(2,3-dimethylphenyl)indazol-5-yl]methyl]-2-propylpentanamide (CID 45270944) is N-[[1-(2,3-dimethylphenyl)indazol-5-yl]methyl]-2-propylpentanamide.
What is the SMILES notation for N-[[1-(2,3-dimethylphenyl)indazol-5-yl]methyl]-2-propylpentanamide?
The canonical SMILES for N-[[1-(2,3-dimethylphenyl)indazol-5-yl]methyl]-2-propylpentanamide is CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccc(C)c2C)c1.
What is the InChIKey of N-[[1-(2,3-dimethylphenyl)indazol-5-yl]methyl]-2-propylpentanamide?
The InChIKey is HVOPXEDYTXZCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-5-8-20(9-6-2)24(28)25-15-19-12-13-23-21(14-19)16-26-27(23)22-11-7-10-17(3)18(22)4/h7,10-14,16,20H,5-6,8-9,15H2,1-4H3,(H,25,28).
What are the key properties of N-[[1-(2,3-dimethylphenyl)indazol-5-yl]methyl]-2-propylpentanamide?
N-[[1-(2,3-dimethylphenyl)indazol-5-yl]methyl]-2-propylpentanamide has a molecular weight of 377.53 g/mol, XLogP of 5.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-dimethylphenyl)indazol-5-yl]methyl]-2-propylpentanamide is sourced from PubChem (CID 45270944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).