N-cyclopropyl-2,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-indole-7-carboxamide

C21H26N4O — CID 72931796

IUPACN-cyclopropyl-2,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-indole-7-carboxamide
SMILESCc1nn(C)c(C)c1CN(C(=O)c1cccc2c(C)c(C)[nH]c12)C1CC1
InChIInChI=1S/C21H26N4O/c1-12-13(2)22-20-17(12)7-6-8-18(20)21(26)25(16-9-10-16)11-19-14(3)23-24(5)15(19)4/h6-8,16,22H,9-11H2,1-5H3
InChIKeyNYYFDMZTKZDKLV-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.94
Rot. Bonds4

About N-cyclopropyl-2,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-indole-7-carboxamide

N-cyclopropyl-2,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-indole-7-carboxamide (PubChem CID 72931796) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is N-cyclopropyl-2,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-indole-7-carboxamide
PubChem CID72931796
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC NameN-cyclopropyl-2,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-indole-7-carboxamide
SMILESCc1nn(C)c(C)c1CN(C(=O)c1cccc2c(C)c(C)[nH]c12)C1CC1
InChIInChI=1S/C21H26N4O/c1-12-13(2)22-20-17(12)7-6-8-18(20)21(26)25(16-9-10-16)11-19-14(3)23-24(5)15(19)4/h6-8,16,22H,9-11H2,1-5H3
InChIKeyNYYFDMZTKZDKLV-UHFFFAOYSA-N
XLogP3.94
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-(2H-tetrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 74242191
N-cyclopropyl-2,3-dimethyl-N-[[3-(2-methylpropoxy)phenyl]methyl]-1H-indole-7-carboxamide
CID 42471181
N-cyclopropyl-5-methyl-1-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 72884307
N-cyclopropyl-3-pyrazol-1-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 50984971
trans-(1R,2R)-N-cyclopropyl-2-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 56743077
1-cyclopropyl-3-[(2,3-dichlorophenyl)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 122556095
4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 50951963
N-cyclopropyl-3,3,3-trifluoro-2-hydroxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 56879611
N-cyclopropyl-5-(isoquinolin-5-yloxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 25486572
N-[2-(diethylamino)-2-oxoethyl]-N,2,3-trimethyl-1H-indole-7-carboxamide
CID 39949321
2,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-7-carboxamide
CID 86979107
5-N-cycloheptyl-3-N,1-dicyclopropyl-4-oxo-3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3,5-dicarboxamide
CID 25366094

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-indole-7-carboxamide?
The IUPAC name of N-cyclopropyl-2,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-indole-7-carboxamide (CID 72931796) is N-cyclopropyl-2,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-indole-7-carboxamide.
What is the SMILES notation for N-cyclopropyl-2,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-indole-7-carboxamide?
The canonical SMILES for N-cyclopropyl-2,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-indole-7-carboxamide is Cc1nn(C)c(C)c1CN(C(=O)c1cccc2c(C)c(C)[nH]c12)C1CC1.
What is the InChIKey of N-cyclopropyl-2,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-indole-7-carboxamide?
The InChIKey is NYYFDMZTKZDKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-12-13(2)22-20-17(12)7-6-8-18(20)21(26)25(16-9-10-16)11-19-14(3)23-24(5)15(19)4/h6-8,16,22H,9-11H2,1-5H3.
What are the key properties of N-cyclopropyl-2,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-indole-7-carboxamide?
N-cyclopropyl-2,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-indole-7-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 72931796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).