N-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]cyclopropanesulfonamide

C20H18FN7O3S — CID 135262294

IUPACN-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]cyclopropanesulfonamide
SMILESCOc1cccc(-c2nc(Nc3ccncc3F)c3cc(NS(=O)(=O)C4CC4)cn3n2)n1
InChIInChI=1S/C20H18FN7O3S/c1-31-18-4-2-3-16(23-18)19-25-20(24-15-7-8-22-10-14(15)21)17-9-12(11-28(17)26-19)27-32(29,30)13-5-6-13/h2-4,7-11,13,27H,5-6H2,1H3,(H,22,24,25,26)
InChIKeyHZYCETTZNLCAQN-UHFFFAOYSA-N
MW455.48 g/mol
LogP2.98
Rot. Bonds7

About N-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]cyclopropanesulfonamide

N-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]cyclopropanesulfonamide (PubChem CID 135262294) has the molecular formula C20H18FN7O3S and a molecular weight of 455.48 g/mol. Its IUPAC name is N-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]cyclopropanesulfonamide
PubChem CID135262294
Molecular FormulaC20H18FN7O3S
Molecular Weight455.48 g/mol
Exact Mass455.12
IUPAC NameN-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]cyclopropanesulfonamide
SMILESCOc1cccc(-c2nc(Nc3ccncc3F)c3cc(NS(=O)(=O)C4CC4)cn3n2)n1
InChIInChI=1S/C20H18FN7O3S/c1-31-18-4-2-3-16(23-18)19-25-20(24-15-7-8-22-10-14(15)21)17-9-12(11-28(17)26-19)27-32(29,30)13-5-6-13/h2-4,7-11,13,27H,5-6H2,1H3,(H,22,24,25,26)
InChIKeyHZYCETTZNLCAQN-UHFFFAOYSA-N
XLogP2.98
TPSA123.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.48
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]cyclopropanesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl methanesulfonate
CID 135262404
(E)-4-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]but-3-en-1-ol
CID 126499772
(3R)-3-fluoro-4-[[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]methylamino]-2-methylbutan-2-ol
CID 135262420
N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-7-phosphanylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 145236182
N-[3-(difluoromethyl)-4-pyridinyl]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 135262249
N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-propoxypyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 145236206
6-ethenyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;6-ethenyl-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;6-ethyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;3-fluoropyridin-4-amine
CID 159778733
1-[[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]-2-methylpropan-2-ol
CID 126499713
1-[6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]ethanone
CID 126499747
N-(3-fluoro-4-pyridinyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 126499823
1-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-[2-(4-oxido-1-oxo-1,4-thiazinan-4-ium-4-yl)ethylamino]ethanol
CID 135262411
5-chloro-2-(6-methoxy-2-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 126499369

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]cyclopropanesulfonamide?
The IUPAC name of N-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]cyclopropanesulfonamide (CID 135262294) is N-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]cyclopropanesulfonamide is COc1cccc(-c2nc(Nc3ccncc3F)c3cc(NS(=O)(=O)C4CC4)cn3n2)n1.
What is the InChIKey of N-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]cyclopropanesulfonamide?
The InChIKey is HZYCETTZNLCAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN7O3S/c1-31-18-4-2-3-16(23-18)19-25-20(24-15-7-8-22-10-14(15)21)17-9-12(11-28(17)26-19)27-32(29,30)13-5-6-13/h2-4,7-11,13,27H,5-6H2,1H3,(H,22,24,25,26).
What are the key properties of N-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]cyclopropanesulfonamide?
N-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]cyclopropanesulfonamide has a molecular weight of 455.48 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]cyclopropanesulfonamide is sourced from PubChem (CID 135262294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).