N,2,3-trimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1H-indole-7-carboxamide

C22H22N4O — CID 70786181

IUPACN,2,3-trimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1H-indole-7-carboxamide
SMILESCc1[nH]c2c(C(=O)N(C)Cc3cccc(-n4cccn4)c3)cccc2c1C
InChIInChI=1S/C22H22N4O/c1-15-16(2)24-21-19(15)9-5-10-20(21)22(27)25(3)14-17-7-4-8-18(13-17)26-12-6-11-23-26/h4-13,24H,14H2,1-3H3
InChIKeyFYZRXQHCNMXQPN-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.24
Rot. Bonds4

About N,2,3-trimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1H-indole-7-carboxamide

N,2,3-trimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1H-indole-7-carboxamide (PubChem CID 70786181) has the molecular formula C22H22N4O and a molecular weight of 358.44 g/mol. Its IUPAC name is N,2,3-trimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN,2,3-trimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1H-indole-7-carboxamide
PubChem CID70786181
Molecular FormulaC22H22N4O
Molecular Weight358.44 g/mol
Exact Mass358.18
IUPAC NameN,2,3-trimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1H-indole-7-carboxamide
SMILESCc1[nH]c2c(C(=O)N(C)Cc3cccc(-n4cccn4)c3)cccc2c1C
InChIInChI=1S/C22H22N4O/c1-15-16(2)24-21-19(15)9-5-10-20(21)22(27)25(3)14-17-7-4-8-18(13-17)26-12-6-11-23-26/h4-13,24H,14H2,1-3H3
InChIKeyFYZRXQHCNMXQPN-UHFFFAOYSA-N
XLogP4.24
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.24
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

3-ethyl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1H-indole-2-carboxamide
CID 70711091
N,3,5-trimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 90649991
N,2,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-7-carboxamide
CID 86853868
N-[2-(diethylamino)-2-oxoethyl]-N,2,3-trimethyl-1H-indole-7-carboxamide
CID 39949321
4-(difluoromethoxy)-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]benzamide
CID 70751227
4-(4-fluorophenyl)-N-methyl-4-oxo-N-[(3-pyrazol-1-ylphenyl)methyl]butanamide
CID 70738182
N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 70750092
4-ethyl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 155913971
N,2-dimethyl-3-morpholin-4-yl-N-[(3-pyrazol-1-ylphenyl)methyl]propanamide
CID 91843383
(4R)-N,3-dimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 70750518
N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]oxolane-3-carboxamide
CID 70740916
N,5-dimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 70760252

Frequently Asked Questions

What is the IUPAC name of N,2,3-trimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1H-indole-7-carboxamide?
The IUPAC name of N,2,3-trimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1H-indole-7-carboxamide (CID 70786181) is N,2,3-trimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1H-indole-7-carboxamide.
What is the SMILES notation for N,2,3-trimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1H-indole-7-carboxamide?
The canonical SMILES for N,2,3-trimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1H-indole-7-carboxamide is Cc1[nH]c2c(C(=O)N(C)Cc3cccc(-n4cccn4)c3)cccc2c1C.
What is the InChIKey of N,2,3-trimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1H-indole-7-carboxamide?
The InChIKey is FYZRXQHCNMXQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-15-16(2)24-21-19(15)9-5-10-20(21)22(27)25(3)14-17-7-4-8-18(13-17)26-12-6-11-23-26/h4-13,24H,14H2,1-3H3.
What are the key properties of N,2,3-trimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1H-indole-7-carboxamide?
N,2,3-trimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1H-indole-7-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-trimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 70786181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).