N-[[1-[3-(1,1-difluoroethyl)phenyl]pyrazol-4-yl]methyl]-6-(1H-indol-2-yl)pyridine-2-carboxamide

C26H21F2N5O — CID 162564040

IUPACN-[[1-[3-(1,1-difluoroethyl)phenyl]pyrazol-4-yl]methyl]-6-(1H-indol-2-yl)pyridine-2-carboxamide
SMILESCC(F)(F)c1cccc(-n2cc(CNC(=O)c3cccc(-c4cc5ccccc5[nH]4)n3)cn2)c1
InChIInChI=1S/C26H21F2N5O/c1-26(27,28)19-7-4-8-20(13-19)33-16-17(15-30-33)14-29-25(34)23-11-5-10-22(32-23)24-12-18-6-2-3-9-21(18)31-24/h2-13,15-16,31H,14H2,1H3,(H,29,34)
InChIKeyHXJFGBUCNRDFEW-UHFFFAOYSA-N
MW457.48 g/mol
LogP5.46
Rot. Bonds6

About N-[[1-[3-(1,1-difluoroethyl)phenyl]pyrazol-4-yl]methyl]-6-(1H-indol-2-yl)pyridine-2-carboxamide

N-[[1-[3-(1,1-difluoroethyl)phenyl]pyrazol-4-yl]methyl]-6-(1H-indol-2-yl)pyridine-2-carboxamide (PubChem CID 162564040) has the molecular formula C26H21F2N5O and a molecular weight of 457.48 g/mol. Its IUPAC name is N-[[1-[3-(1,1-difluoroethyl)phenyl]pyrazol-4-yl]methyl]-6-(1H-indol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[3-(1,1-difluoroethyl)phenyl]pyrazol-4-yl]methyl]-6-(1H-indol-2-yl)pyridine-2-carboxamide
PubChem CID162564040
Molecular FormulaC26H21F2N5O
Molecular Weight457.48 g/mol
Exact Mass457.17
IUPAC NameN-[[1-[3-(1,1-difluoroethyl)phenyl]pyrazol-4-yl]methyl]-6-(1H-indol-2-yl)pyridine-2-carboxamide
SMILESCC(F)(F)c1cccc(-n2cc(CNC(=O)c3cccc(-c4cc5ccccc5[nH]4)n3)cn2)c1
InChIInChI=1S/C26H21F2N5O/c1-26(27,28)19-7-4-8-20(13-19)33-16-17(15-30-33)14-29-25(34)23-11-5-10-22(32-23)24-12-18-6-2-3-9-21(18)31-24/h2-13,15-16,31H,14H2,1H3,(H,29,34)
InChIKeyHXJFGBUCNRDFEW-UHFFFAOYSA-N
XLogP5.46
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.48
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[1-[3-(1,1-difluoroethyl)phenyl]pyrazol-4-yl]methyl]-6-(1H-indol-2-yl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[6-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methylcarbamoyl]-2-pyridinyl]carbamate
CID 59406385
2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide
CID 39058604
2,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-indole-5-carboxamide
CID 134035985
2-N-[[1-[4-(aminomethyl)phenyl]pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 59406350
2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]triazole-4-carboxamide
CID 134036061
2-(ethylamino)-2-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 62835939
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 64523664
2-N-[[1-(5-amino-3-pyridinyl)pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 70303037
2-methyl-1-[(1-phenylpyrazol-4-yl)methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]guanidine
CID 111268197
2-N-[[1-[3-chloro-4-(dimethylsulfamoyl)phenyl]pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 59406318
5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 52553185
2-N-ethyl-8-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-2,8-dicarboxamide
CID 59588339

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(1,1-difluoroethyl)phenyl]pyrazol-4-yl]methyl]-6-(1H-indol-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-[[1-[3-(1,1-difluoroethyl)phenyl]pyrazol-4-yl]methyl]-6-(1H-indol-2-yl)pyridine-2-carboxamide (CID 162564040) is N-[[1-[3-(1,1-difluoroethyl)phenyl]pyrazol-4-yl]methyl]-6-(1H-indol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[[1-[3-(1,1-difluoroethyl)phenyl]pyrazol-4-yl]methyl]-6-(1H-indol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[[1-[3-(1,1-difluoroethyl)phenyl]pyrazol-4-yl]methyl]-6-(1H-indol-2-yl)pyridine-2-carboxamide is CC(F)(F)c1cccc(-n2cc(CNC(=O)c3cccc(-c4cc5ccccc5[nH]4)n3)cn2)c1.
What is the InChIKey of N-[[1-[3-(1,1-difluoroethyl)phenyl]pyrazol-4-yl]methyl]-6-(1H-indol-2-yl)pyridine-2-carboxamide?
The InChIKey is HXJFGBUCNRDFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2N5O/c1-26(27,28)19-7-4-8-20(13-19)33-16-17(15-30-33)14-29-25(34)23-11-5-10-22(32-23)24-12-18-6-2-3-9-21(18)31-24/h2-13,15-16,31H,14H2,1H3,(H,29,34).
What are the key properties of N-[[1-[3-(1,1-difluoroethyl)phenyl]pyrazol-4-yl]methyl]-6-(1H-indol-2-yl)pyridine-2-carboxamide?
N-[[1-[3-(1,1-difluoroethyl)phenyl]pyrazol-4-yl]methyl]-6-(1H-indol-2-yl)pyridine-2-carboxamide has a molecular weight of 457.48 g/mol, XLogP of 5.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(1,1-difluoroethyl)phenyl]pyrazol-4-yl]methyl]-6-(1H-indol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 162564040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).