N-(1H-indol-3-yl)-2-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide

C22H22N4O2 — CID 156907075

IUPACN-(1H-indol-3-yl)-2-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide
SMILESCOc1ccc(C(Cc2cnn(C)c2)C(=O)Nc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C22H22N4O2/c1-26-14-15(12-24-26)11-19(16-7-9-17(28-2)10-8-16)22(27)25-21-13-23-20-6-4-3-5-18(20)21/h3-10,12-14,19,23H,11H2,1-2H3,(H,25,27)
InChIKeyCTXHODFMMZVYJT-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.88
Rot. Bonds6

About N-(1H-indol-3-yl)-2-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide

N-(1H-indol-3-yl)-2-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 156907075) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(1H-indol-3-yl)-2-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(1H-indol-3-yl)-2-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID156907075
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-(1H-indol-3-yl)-2-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide
SMILESCOc1ccc(C(Cc2cnn(C)c2)C(=O)Nc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C22H22N4O2/c1-26-14-15(12-24-26)11-19(16-7-9-17(28-2)10-8-16)22(27)25-21-13-23-20-6-4-3-5-18(20)21/h3-10,12-14,19,23H,11H2,1-2H3,(H,25,27)
InChIKeyCTXHODFMMZVYJT-UHFFFAOYSA-N
XLogP3.88
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-yl)-2-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-(1H-indol-3-yl)-2-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide (CID 156907075) is N-(1H-indol-3-yl)-2-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(1H-indol-3-yl)-2-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(1H-indol-3-yl)-2-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide is COc1ccc(C(Cc2cnn(C)c2)C(=O)Nc2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-(1H-indol-3-yl)-2-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is CTXHODFMMZVYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-26-14-15(12-24-26)11-19(16-7-9-17(28-2)10-8-16)22(27)25-21-13-23-20-6-4-3-5-18(20)21/h3-10,12-14,19,23H,11H2,1-2H3,(H,25,27).
What are the key properties of N-(1H-indol-3-yl)-2-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide?
N-(1H-indol-3-yl)-2-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 374.44 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-yl)-2-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 156907075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).