N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide

C26H23N5O2 — CID 55532269

IUPACN-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2ccc(-n3cccn3)nc2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C26H23N5O2/c1-33-20-10-7-18(8-11-20)22(23-17-27-24-6-3-2-5-21(23)24)16-29-26(32)19-9-12-25(28-15-19)31-14-4-13-30-31/h2-15,17,22,27H,16H2,1H3,(H,29,32)
InChIKeyUTNGNJVWLJQFPB-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.32
Rot. Bonds7

About N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide

N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide (PubChem CID 55532269) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide
PubChem CID55532269
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC NameN-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2ccc(-n3cccn3)nc2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C26H23N5O2/c1-33-20-10-7-18(8-11-20)22(23-17-27-24-6-3-2-5-21(23)24)16-29-26(32)19-9-12-25(28-15-19)31-14-4-13-30-31/h2-15,17,22,27H,16H2,1H3,(H,29,32)
InChIKeyUTNGNJVWLJQFPB-UHFFFAOYSA-N
XLogP4.32
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1H-indol-3-yl)-2-phenylethyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 112811528
N-[(2R)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide
CID 35124184
4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 35128972
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 46533462
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1H-indazole-3-carboxamide
CID 43017319
3-fluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 43003893
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
CID 31818454
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide
CID 17014418
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 60521295
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-(methanesulfonamido)benzamide
CID 37311265
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 2459996

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide (CID 55532269) is N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide is COc1ccc(C(CNC(=O)c2ccc(-n3cccn3)nc2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide?
The InChIKey is UTNGNJVWLJQFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2/c1-33-20-10-7-18(8-11-20)22(23-17-27-24-6-3-2-5-21(23)24)16-29-26(32)19-9-12-25(28-15-19)31-14-4-13-30-31/h2-15,17,22,27H,16H2,1H3,(H,29,32).
What are the key properties of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide?
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 55532269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).