N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide

C25H23N5O — CID 60532053

IUPACN-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2CN2CCc3ccccc32)cnn1-c1ccccn1
InChIInChI=1S/C25H23N5O/c1-18-21(16-27-30(18)24-12-6-7-14-26-24)25(31)28-22-10-4-2-9-20(22)17-29-15-13-19-8-3-5-11-23(19)29/h2-12,14,16H,13,15,17H2,1H3,(H,28,31)
InChIKeyOGAMPSSPHTUGDL-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.39
Rot. Bonds5

About N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide

N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 60532053) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID60532053
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC NameN-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2CN2CCc3ccccc32)cnn1-c1ccccn1
InChIInChI=1S/C25H23N5O/c1-18-21(16-27-30(18)24-12-6-7-14-26-24)25(31)28-22-10-4-2-9-20(22)17-29-15-13-19-8-3-5-11-23(19)29/h2-12,14,16H,13,15,17H2,1H3,(H,28,31)
InChIKeyOGAMPSSPHTUGDL-UHFFFAOYSA-N
XLogP4.39
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[2-(methylsulfinylmethyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 139004120
N-(2-fluorophenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944125
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylsulfanylbenzamide
CID 112846156
5-methyl-1-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 108793336
methyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 15944141
5-methyl-N-(2-propoxyphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 39093834
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-1,2,5-thiadiazole-3-carboxamide
CID 51121393
5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 10998462
N-(2-ethyl-6-methylphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 24825168
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2,4-dimethoxybenzamide
CID 55816792
N-(2,5-difluorophenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 24825171
3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]propanamide
CID 119853062

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide (CID 60532053) is N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccccc2CN2CCc3ccccc32)cnn1-c1ccccn1.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is OGAMPSSPHTUGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O/c1-18-21(16-27-30(18)24-12-6-7-14-26-24)25(31)28-22-10-4-2-9-20(22)17-29-15-13-19-8-3-5-11-23(19)29/h2-12,14,16H,13,15,17H2,1H3,(H,28,31).
What are the key properties of N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 60532053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).