5-[2-fluoro-3-[3-oxo-3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]propyl]phenyl]-4-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide

C29H29FN10O2 — CID 146522108

IUPAC5-[2-fluoro-3-[3-oxo-3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]propyl]phenyl]-4-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide
SMILESCC(CCC(=O)Nc1n[nH]c(-c2ccccn2)n1)Cc1cccc(CCC(=O)Nc2n[nH]c(-c3ccccn3)n2)c1F
InChIInChI=1S/C29H29FN10O2/c1-18(11-13-23(41)33-28-35-26(37-39-28)21-9-2-4-15-31-21)17-20-8-6-7-19(25(20)30)12-14-24(42)34-29-36-27(38-40-29)22-10-3-5-16-32-22/h2-10,15-16,18H,11-14,17H2,1H3,(H2,33,35,37,39,41)(H2,34,36,38,40,42)
InChIKeyNBWOXZWFJJGFKW-UHFFFAOYSA-N
MW568.62 g/mol
LogP4.35
Rot. Bonds12

About 5-[2-fluoro-3-[3-oxo-3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]propyl]phenyl]-4-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide

5-[2-fluoro-3-[3-oxo-3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]propyl]phenyl]-4-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide (PubChem CID 146522108) has the molecular formula C29H29FN10O2 and a molecular weight of 568.62 g/mol. Its IUPAC name is 5-[2-fluoro-3-[3-oxo-3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]propyl]phenyl]-4-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide.

Molecular Properties

Compound Name5-[2-fluoro-3-[3-oxo-3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]propyl]phenyl]-4-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide
PubChem CID146522108
Molecular FormulaC29H29FN10O2
Molecular Weight568.62 g/mol
Exact Mass568.25
IUPAC Name5-[2-fluoro-3-[3-oxo-3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]propyl]phenyl]-4-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide
SMILESCC(CCC(=O)Nc1n[nH]c(-c2ccccn2)n1)Cc1cccc(CCC(=O)Nc2n[nH]c(-c3ccccn3)n2)c1F
InChIInChI=1S/C29H29FN10O2/c1-18(11-13-23(41)33-28-35-26(37-39-28)21-9-2-4-15-31-21)17-20-8-6-7-19(25(20)30)12-14-24(42)34-29-36-27(38-40-29)22-10-3-5-16-32-22/h2-10,15-16,18H,11-14,17H2,1H3,(H2,33,35,37,39,41)(H2,34,36,38,40,42)
InChIKeyNBWOXZWFJJGFKW-UHFFFAOYSA-N
XLogP4.35
TPSA167.12 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.62
LogP ≤ 54.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 5-[2-fluoro-3-[3-oxo-3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]propyl]phenyl]-4-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide with MolForge

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Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]ethanone
CID 53326206
2-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-azaspiro[5.5]undecan-1-one
CID 155177171
2-[4-[[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-[(3-methyl-1~{H}-pyrazol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-~{N}-(3-fluorophenyl)ethanamide
CID 162540425
2-(2-fluorophenyl)-1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]ethanone
CID 53318284
2-(2,4-difluorophenyl)-1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]ethanone
CID 53319648
(2S)-2-((1H-tetrazol-5-yl)methylamino)-3-(4-fluorophenyl)-N-(1-methyl-3-(2-(methylamino)pyridin-4-yl)-1H-pyrazol-5-yl)propanamide
CID 67497965
2-(3,5-dimethylphenyl)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]acetamide
CID 44454670
3-(3-fluoro-2-pyridinyl)-5-(5-methyl-2-pyridinyl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 145967718
3-(3-fluoro-2-pyridinyl)-5-(5-methyl-2-pyridinyl)-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 145970231
N-[4-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]-2-pyridinyl]-3-(tetrazol-1-yl)propanamide
CID 155531724
N-[4-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]-2-pyridinyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 155554624
2-[4-[[4-(1-methylpyrazol-4-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(4-propan-2-ylphenyl)acetamide
CID 166630342

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-3-[3-oxo-3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]propyl]phenyl]-4-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide?
The IUPAC name of 5-[2-fluoro-3-[3-oxo-3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]propyl]phenyl]-4-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide (CID 146522108) is 5-[2-fluoro-3-[3-oxo-3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]propyl]phenyl]-4-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide.
What is the SMILES notation for 5-[2-fluoro-3-[3-oxo-3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]propyl]phenyl]-4-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide?
The canonical SMILES for 5-[2-fluoro-3-[3-oxo-3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]propyl]phenyl]-4-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide is CC(CCC(=O)Nc1n[nH]c(-c2ccccn2)n1)Cc1cccc(CCC(=O)Nc2n[nH]c(-c3ccccn3)n2)c1F.
What is the InChIKey of 5-[2-fluoro-3-[3-oxo-3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]propyl]phenyl]-4-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide?
The InChIKey is NBWOXZWFJJGFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN10O2/c1-18(11-13-23(41)33-28-35-26(37-39-28)21-9-2-4-15-31-21)17-20-8-6-7-19(25(20)30)12-14-24(42)34-29-36-27(38-40-29)22-10-3-5-16-32-22/h2-10,15-16,18H,11-14,17H2,1H3,(H2,33,35,37,39,41)(H2,34,36,38,40,42).
What are the key properties of 5-[2-fluoro-3-[3-oxo-3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]propyl]phenyl]-4-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide?
5-[2-fluoro-3-[3-oxo-3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]propyl]phenyl]-4-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide has a molecular weight of 568.62 g/mol, XLogP of 4.35, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-3-[3-oxo-3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]propyl]phenyl]-4-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide is sourced from PubChem (CID 146522108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).