N-[5-fluoro-4-[[2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide

C18H13F2N7O — CID 126484185

IUPACN-[5-fluoro-4-[[2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2nc(-c3ccc(F)cn3)nn3cccc23)c(F)cn1
InChIInChI=1S/C18H13F2N7O/c1-10(28)23-16-7-14(12(20)9-22-16)24-18-15-3-2-6-27(15)26-17(25-18)13-5-4-11(19)8-21-13/h2-9H,1H3,(H2,22,23,24,25,26,28)
InChIKeyUGUYIDUIAZTWQI-UHFFFAOYSA-N
MW381.35 g/mol
LogP3.17
Rot. Bonds4

About N-[5-fluoro-4-[[2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide

N-[5-fluoro-4-[[2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide (PubChem CID 126484185) has the molecular formula C18H13F2N7O and a molecular weight of 381.35 g/mol. Its IUPAC name is N-[5-fluoro-4-[[2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-fluoro-4-[[2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide
PubChem CID126484185
Molecular FormulaC18H13F2N7O
Molecular Weight381.35 g/mol
Exact Mass381.11
IUPAC NameN-[5-fluoro-4-[[2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2nc(-c3ccc(F)cn3)nn3cccc23)c(F)cn1
InChIInChI=1S/C18H13F2N7O/c1-10(28)23-16-7-14(12(20)9-22-16)24-18-15-3-2-6-27(15)26-17(25-18)13-5-4-11(19)8-21-13/h2-9H,1H3,(H2,22,23,24,25,26,28)
InChIKeyUGUYIDUIAZTWQI-UHFFFAOYSA-N
XLogP3.17
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-fluoro-4-[[2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide 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-(3-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 126499651
1-[6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]ethanone
CID 126499747
ethane;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide
CID 145236214
N-(3-fluoro-4-pyridinyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 126499823
N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-5-fluoro-2-pyridinyl]acetamide
CID 126537574
2-[C-(4-fluorophenyl)-N-methylcarbonimidoyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 88880749
N-[3-(fluoromethyl)-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide
CID 145236024
N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]propanamide
CID 145236062
N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(5-fluoro-2-pyridinyl)-2-pyridinyl]acetamide
CID 175990690
methyl N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]carbamate
CID 126484459
3-[[2-(4-fluorobenzoyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-1H-pyrazole-5-carbonitrile
CID 44621715
2-chloro-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide
CID 126484161

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-4-[[2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-fluoro-4-[[2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide (CID 126484185) is N-[5-fluoro-4-[[2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-fluoro-4-[[2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-fluoro-4-[[2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide is CC(=O)Nc1cc(Nc2nc(-c3ccc(F)cn3)nn3cccc23)c(F)cn1.
What is the InChIKey of N-[5-fluoro-4-[[2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide?
The InChIKey is UGUYIDUIAZTWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N7O/c1-10(28)23-16-7-14(12(20)9-22-16)24-18-15-3-2-6-27(15)26-17(25-18)13-5-4-11(19)8-21-13/h2-9H,1H3,(H2,22,23,24,25,26,28).
What are the key properties of N-[5-fluoro-4-[[2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide?
N-[5-fluoro-4-[[2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide has a molecular weight of 381.35 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-4-[[2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide is sourced from PubChem (CID 126484185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).