(2R)-N-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-2-pyrazol-1-ylpropanamide

C22H21ClN4O — CID 95556269

IUPAC(2R)-N-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-2-pyrazol-1-ylpropanamide
SMILESCc1c(-c2ccccc2)[nH]c2c(CNC(=O)[C@@H](C)n3cccn3)cc(Cl)cc12
InChIInChI=1S/C22H21ClN4O/c1-14-19-12-18(23)11-17(13-24-22(28)15(2)27-10-6-9-25-27)21(19)26-20(14)16-7-4-3-5-8-16/h3-12,15,26H,13H2,1-2H3,(H,24,28)/t15-/m1/s1
InChIKeyMFSTUIRUAOUXBL-OAHLLOKOSA-N
MW392.89 g/mol
LogP4.87
Rot. Bonds5

About (2R)-N-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-2-pyrazol-1-ylpropanamide

(2R)-N-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-2-pyrazol-1-ylpropanamide (PubChem CID 95556269) has the molecular formula C22H21ClN4O and a molecular weight of 392.89 g/mol. Its IUPAC name is (2R)-N-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-2-pyrazol-1-ylpropanamide
PubChem CID95556269
Molecular FormulaC22H21ClN4O
Molecular Weight392.89 g/mol
Exact Mass392.14
IUPAC Name(2R)-N-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-2-pyrazol-1-ylpropanamide
SMILESCc1c(-c2ccccc2)[nH]c2c(CNC(=O)[C@@H](C)n3cccn3)cc(Cl)cc12
InChIInChI=1S/C22H21ClN4O/c1-14-19-12-18(23)11-17(13-24-22(28)15(2)27-10-6-9-25-27)21(19)26-20(14)16-7-4-3-5-8-16/h3-12,15,26H,13H2,1-2H3,(H,24,28)/t15-/m1/s1
InChIKeyMFSTUIRUAOUXBL-OAHLLOKOSA-N
XLogP4.87
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of (2R)-N-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-2-pyrazol-1-ylpropanamide (CID 95556269) is (2R)-N-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for (2R)-N-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for (2R)-N-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-2-pyrazol-1-ylpropanamide is Cc1c(-c2ccccc2)[nH]c2c(CNC(=O)[C@@H](C)n3cccn3)cc(Cl)cc12.
What is the InChIKey of (2R)-N-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is MFSTUIRUAOUXBL-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H21ClN4O/c1-14-19-12-18(23)11-17(13-24-22(28)15(2)27-10-6-9-25-27)21(19)26-20(14)16-7-4-3-5-8-16/h3-12,15,26H,13H2,1-2H3,(H,24,28)/t15-/m1/s1.
What are the key properties of (2R)-N-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-2-pyrazol-1-ylpropanamide?
(2R)-N-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 392.89 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 95556269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).