N-[4-(4-amino-7-cyclohexylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide

C30H27FN6O2 — CID 131980464

IUPACN-[4-(4-amino-7-cyclohexylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide
SMILESNc1ncnn2c(C3CCCCC3)cc(-c3ccc(NC(=O)c4cccn(-c5ccccc5)c4=O)cc3F)c12
InChIInChI=1S/C30H27FN6O2/c31-25-16-20(35-29(38)23-12-7-15-36(30(23)39)21-10-5-2-6-11-21)13-14-22(25)24-17-26(19-8-3-1-4-9-19)37-27(24)28(32)33-18-34-37/h2,5-7,10-19H,1,3-4,8-9H2,(H,35,38)(H2,32,33,34)
InChIKeyBSRNBCHYEMEFJG-UHFFFAOYSA-N
MW522.58 g/mol
LogP5.57
Rot. Bonds5

About N-[4-(4-amino-7-cyclohexylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide

N-[4-(4-amino-7-cyclohexylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide (PubChem CID 131980464) has the molecular formula C30H27FN6O2 and a molecular weight of 522.58 g/mol. Its IUPAC name is N-[4-(4-amino-7-cyclohexylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-amino-7-cyclohexylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide
PubChem CID131980464
Molecular FormulaC30H27FN6O2
Molecular Weight522.58 g/mol
Exact Mass522.22
IUPAC NameN-[4-(4-amino-7-cyclohexylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide
SMILESNc1ncnn2c(C3CCCCC3)cc(-c3ccc(NC(=O)c4cccn(-c5ccccc5)c4=O)cc3F)c12
InChIInChI=1S/C30H27FN6O2/c31-25-16-20(35-29(38)23-12-7-15-36(30(23)39)21-10-5-2-6-11-21)13-14-22(25)24-17-26(19-8-3-1-4-9-19)37-27(24)28(32)33-18-34-37/h2,5-7,10-19H,1,3-4,8-9H2,(H,35,38)(H2,32,33,34)
InChIKeyBSRNBCHYEMEFJG-UHFFFAOYSA-N
XLogP5.57
TPSA107.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.58
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-(4-amino-7-cyclohexylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-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

N-[4-(4-amino-7-cyclohexylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 131980466
methyl 4-[4-amino-5-[2-fluoro-4-[[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]-hydroxymethyl]amino]phenyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxylate
CID 146175161
N-[4-[4-amino-7-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-3-fluorophenyl]-2-oxo-1-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide
CID 169041290
4-[4-[7-(1-acetylpiperidin-4-yl)-4-aminopyrrolo[2,1-f][1,2,4]triazin-5-yl]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 175734487
N-[4-(4-amino-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]-6-methyl-5-(N'-methylcarbamimidoyl)-2-oxo-1-phenylpyridine-3-carboxamide;ethane
CID 145377920
tert-butyl 4-[4-amino-5-[2-fluoro-4-[(2-oxo-1-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carbonyl)amino]phenyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxylate
CID 169041311
N-[4-[4-amino-7-[1-(2-hydroxyethyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-1-(4-fluorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
CID 130447658
N-[4-(4-amino-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]-3,5-dioxo-4-phenyl-2-propan-2-yl-1,2,4-triazine-6-carboxamide
CID 130447835
tert-butyl 4-[4-amino-5-[4-[(2,4-dioxo-3-phenyl-1-propan-2-ylpyrimidine-5-carbonyl)amino]phenyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxylate
CID 130447752
N-[4-[4-amino-7-(1-methylpiperidin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-5-bromo-6-(methoxymethyl)-2-oxo-1-phenylpyridine-3-carboxamide
CID 131980420
1-(4-benzamidophenyl)-N-cyclohexyl-2-oxopyridine-3-carboxamide
CID 53119460
tert-butyl 4-[4-amino-5-[4-[[6-methyl-5-(1-methylpyrazol-4-yl)-2-oxo-1-phenylpyridine-3-carbonyl]amino]phenyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxylate
CID 130447870

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-7-cyclohexylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide?
The IUPAC name of N-[4-(4-amino-7-cyclohexylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide (CID 131980464) is N-[4-(4-amino-7-cyclohexylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-(4-amino-7-cyclohexylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[4-(4-amino-7-cyclohexylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide is Nc1ncnn2c(C3CCCCC3)cc(-c3ccc(NC(=O)c4cccn(-c5ccccc5)c4=O)cc3F)c12.
What is the InChIKey of N-[4-(4-amino-7-cyclohexylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide?
The InChIKey is BSRNBCHYEMEFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FN6O2/c31-25-16-20(35-29(38)23-12-7-15-36(30(23)39)21-10-5-2-6-11-21)13-14-22(25)24-17-26(19-8-3-1-4-9-19)37-27(24)28(32)33-18-34-37/h2,5-7,10-19H,1,3-4,8-9H2,(H,35,38)(H2,32,33,34).
What are the key properties of N-[4-(4-amino-7-cyclohexylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide?
N-[4-(4-amino-7-cyclohexylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide has a molecular weight of 522.58 g/mol, XLogP of 5.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-7-cyclohexylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide is sourced from PubChem (CID 131980464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).