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

C22H24FN7O2 — CID 126499713

IUPAC1-[[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
SMILESCOc1cccc(-c2nc(Nc3ccncc3F)c3c(CNCC(C)(C)O)ccn3n2)n1
InChIInChI=1S/C22H24FN7O2/c1-22(2,31)13-25-11-14-8-10-30-19(14)21(27-16-7-9-24-12-15(16)23)28-20(29-30)17-5-4-6-18(26-17)32-3/h4-10,12,25,31H,11,13H2,1-3H3,(H,24,27,28,29)
InChIKeyMONRKPCHMHXIKR-UHFFFAOYSA-N
MW437.48 g/mol
LogP2.94
Rot. Bonds8

About 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

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 (PubChem CID 126499713) has the molecular formula C22H24FN7O2 and a molecular weight of 437.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[[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
PubChem CID126499713
Molecular FormulaC22H24FN7O2
Molecular Weight437.48 g/mol
Exact Mass437.20
IUPAC Name1-[[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
SMILESCOc1cccc(-c2nc(Nc3ccncc3F)c3c(CNCC(C)(C)O)ccn3n2)n1
InChIInChI=1S/C22H24FN7O2/c1-22(2,31)13-25-11-14-8-10-30-19(14)21(27-16-7-9-24-12-15(16)23)28-20(29-30)17-5-4-6-18(26-17)32-3/h4-10,12,25,31H,11,13H2,1-3H3,(H,24,27,28,29)
InChIKeyMONRKPCHMHXIKR-UHFFFAOYSA-N
XLogP2.94
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-propoxypyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 145236206
(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
4-[[4-[(3-fluoro-4-pyridinyl)amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]butan-2-ol
CID 126484423
(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
N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-7-phosphanylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 145236182
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
[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
5-chloro-2-(6-methoxy-2-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 126499369
N-(3-fluoro-4-pyridinyl)-5-(5-methylhex-2-ynyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 126499741
3-[[4-[(3-fluoro-4-pyridinyl)amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]adamantan-1-ol
CID 135271423
(3R)-1-[[4-[(3-fluoro-4-pyridinyl)amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]pyrrolidin-3-ol
CID 126484455
N-(3-fluoro-4-pyridinyl)-2-pyridin-2-yl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 126484409

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cccc(-c2nc(Nc3ccncc3F)c3c(CNCC(C)(C)O)ccn3n2)n1.
What is the InChIKey of 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?
The InChIKey is MONRKPCHMHXIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN7O2/c1-22(2,31)13-25-11-14-8-10-30-19(14)21(27-16-7-9-24-12-15(16)23)28-20(29-30)17-5-4-6-18(26-17)32-3/h4-10,12,25,31H,11,13H2,1-3H3,(H,24,27,28,29).
What are the key properties of 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?
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 has a molecular weight of 437.48 g/mol, XLogP of 2.94, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 126499713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).