6-chloro-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylindole-2-carboxamide

C18H21ClN4O — CID 99949687

IUPAC6-chloro-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylindole-2-carboxamide
SMILESCc1cc(C)n([C@H](C)CNC(=O)c2cc3ccc(Cl)cc3n2C)n1
InChIInChI=1S/C18H21ClN4O/c1-11-7-12(2)23(21-11)13(3)10-20-18(24)17-8-14-5-6-15(19)9-16(14)22(17)4/h5-9,13H,10H2,1-4H3,(H,20,24)/t13-/m1/s1
InChIKeyLJKZUQANOSCKLE-CYBMUJFWSA-N
MW344.85 g/mol
LogP3.64
Rot. Bonds4

About 6-chloro-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylindole-2-carboxamide

6-chloro-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylindole-2-carboxamide (PubChem CID 99949687) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is 6-chloro-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylindole-2-carboxamide
PubChem CID99949687
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name6-chloro-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylindole-2-carboxamide
SMILESCc1cc(C)n([C@H](C)CNC(=O)c2cc3ccc(Cl)cc3n2C)n1
InChIInChI=1S/C18H21ClN4O/c1-11-7-12(2)23(21-11)13(3)10-20-18(24)17-8-14-5-6-15(19)9-16(14)22(17)4/h5-9,13H,10H2,1-4H3,(H,20,24)/t13-/m1/s1
InChIKeyLJKZUQANOSCKLE-CYBMUJFWSA-N
XLogP3.64
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-chloro-1-methylindole-2-carbonyl)amino]acetic acid
CID 110835856
N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 7444930
N'-(5-chloro-2-methylphenyl)-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]propanediamide
CID 95125643
N-(1-aminopropan-2-yl)-6-chloro-1-methylindole-2-carboxamide
CID 110833586
N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
CID 95120648
N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-(methylamino)pyridine-4-carboxamide
CID 92603054
1-(6-chloro-2-methyl-3-pyridinyl)-3-[2-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 118793816
N-[(6-carbamoyl-5-methyl-2-pyridinyl)methyl]-6-chloro-1-methylindole-2-carboxamide
CID 177140115
6-chloro-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-methylindole-2-carboxamide
CID 177140343
5-chloro-1-methyl-N-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]indole-2-carboxamide
CID 166357837
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 74246934
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 50974491

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylindole-2-carboxamide?
The IUPAC name of 6-chloro-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylindole-2-carboxamide (CID 99949687) is 6-chloro-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylindole-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylindole-2-carboxamide?
The canonical SMILES for 6-chloro-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylindole-2-carboxamide is Cc1cc(C)n([C@H](C)CNC(=O)c2cc3ccc(Cl)cc3n2C)n1.
What is the InChIKey of 6-chloro-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylindole-2-carboxamide?
The InChIKey is LJKZUQANOSCKLE-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21ClN4O/c1-11-7-12(2)23(21-11)13(3)10-20-18(24)17-8-14-5-6-15(19)9-16(14)22(17)4/h5-9,13H,10H2,1-4H3,(H,20,24)/t13-/m1/s1.
What are the key properties of 6-chloro-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylindole-2-carboxamide?
6-chloro-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylindole-2-carboxamide has a molecular weight of 344.85 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 99949687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).