N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-methyl-3-phenyl-1H-indole-2-carboxamide

C23H24N4O — CID 92613478

IUPACN-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-methyl-3-phenyl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)N[C@H](C)c3cn(C)nc3C)c(-c3ccccc3)c2c1
InChIInChI=1S/C23H24N4O/c1-14-10-11-20-18(12-14)21(17-8-6-5-7-9-17)22(25-20)23(28)24-15(2)19-13-27(4)26-16(19)3/h5-13,15,25H,1-4H3,(H,24,28)/t15-/m1/s1
InChIKeyPBCHYAMTLBHKFY-OAHLLOKOSA-N
MW372.47 g/mol
LogP4.68
Rot. Bonds4

About N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-methyl-3-phenyl-1H-indole-2-carboxamide

N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-methyl-3-phenyl-1H-indole-2-carboxamide (PubChem CID 92613478) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-methyl-3-phenyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-methyl-3-phenyl-1H-indole-2-carboxamide
PubChem CID92613478
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-methyl-3-phenyl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)N[C@H](C)c3cn(C)nc3C)c(-c3ccccc3)c2c1
InChIInChI=1S/C23H24N4O/c1-14-10-11-20-18(12-14)21(17-8-6-5-7-9-17)22(25-20)23(28)24-15(2)19-13-27(4)26-16(19)3/h5-13,15,25H,1-4H3,(H,24,28)/t15-/m1/s1
InChIKeyPBCHYAMTLBHKFY-OAHLLOKOSA-N
XLogP4.68
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-methyl-3-phenyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-methyl-3-phenyl-1H-indole-2-carboxamide (CID 92613478) is N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-methyl-3-phenyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-methyl-3-phenyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-methyl-3-phenyl-1H-indole-2-carboxamide is Cc1ccc2[nH]c(C(=O)N[C@H](C)c3cn(C)nc3C)c(-c3ccccc3)c2c1.
What is the InChIKey of N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-methyl-3-phenyl-1H-indole-2-carboxamide?
The InChIKey is PBCHYAMTLBHKFY-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H24N4O/c1-14-10-11-20-18(12-14)21(17-8-6-5-7-9-17)22(25-20)23(28)24-15(2)19-13-27(4)26-16(19)3/h5-13,15,25H,1-4H3,(H,24,28)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-methyl-3-phenyl-1H-indole-2-carboxamide?
N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-methyl-3-phenyl-1H-indole-2-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-methyl-3-phenyl-1H-indole-2-carboxamide is sourced from PubChem (CID 92613478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).