N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide

C21H26N4O — CID 56878713

IUPACN-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide
SMILESCCc1[nH]c2c(CNC(=O)C3(Cn4cccn4)CC3)cc(C)cc2c1C
InChIInChI=1S/C21H26N4O/c1-4-18-15(3)17-11-14(2)10-16(19(17)24-18)12-22-20(26)21(6-7-21)13-25-9-5-8-23-25/h5,8-11,24H,4,6-7,12-13H2,1-3H3,(H,22,26)
InChIKeyNOXPHNTWYCEINF-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.64
Rot. Bonds6

About N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide

N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 56878713) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide
PubChem CID56878713
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC NameN-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide
SMILESCCc1[nH]c2c(CNC(=O)C3(Cn4cccn4)CC3)cc(C)cc2c1C
InChIInChI=1S/C21H26N4O/c1-4-18-15(3)17-11-14(2)10-16(19(17)24-18)12-22-20(26)21(6-7-21)13-25-9-5-8-23-25/h5,8-11,24H,4,6-7,12-13H2,1-3H3,(H,22,26)
InChIKeyNOXPHNTWYCEINF-UHFFFAOYSA-N
XLogP3.64
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-2-imidazol-1-ylpropanamide
CID 95445277
4-pyrazol-1-yl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120928380
2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]acetamide
CID 70730545
2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]acetamide
CID 56861427
(4S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-4-(4-methylpiperazin-1-yl)pentanamide
CID 95555062
N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 56866510
(3S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 95563342
4-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]pyrimidine-4,6-diamine
CID 56867744
N-(1,3-benzothiazol-7-ylmethyl)-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide
CID 163308250
[6-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methylamino]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 56861740
1-pyridin-2-yl-3-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]urea
CID 47085396
2-(5-methylpyrazol-1-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide
CID 56877833

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide (CID 56878713) is N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide is CCc1[nH]c2c(CNC(=O)C3(Cn4cccn4)CC3)cc(C)cc2c1C.
What is the InChIKey of N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is NOXPHNTWYCEINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-4-18-15(3)17-11-14(2)10-16(19(17)24-18)12-22-20(26)21(6-7-21)13-25-9-5-8-23-25/h5,8-11,24H,4,6-7,12-13H2,1-3H3,(H,22,26).
What are the key properties of N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide?
N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 56878713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).