N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

C24H27FN8O — CID 126484252

IUPACN-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCOc1cccc(-c2nc(Nc3ccncc3F)c3c(CCN4CCN(C)CC4)ccn3n2)n1
InChIInChI=1S/C24H27FN8O/c1-31-12-14-32(15-13-31)10-7-17-8-11-33-22(17)24(28-19-6-9-26-16-18(19)25)29-23(30-33)20-4-3-5-21(27-20)34-2/h3-6,8-9,11,16H,7,10,12-15H2,1-2H3,(H,26,28,29,30)
InChIKeyZGFMLAWDIDVYHM-UHFFFAOYSA-N
MW462.53 g/mol
LogP2.87
Rot. Bonds7

About N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 126484252) has the molecular formula C24H27FN8O and a molecular weight of 462.53 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID126484252
Molecular FormulaC24H27FN8O
Molecular Weight462.53 g/mol
Exact Mass462.23
IUPAC NameN-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCOc1cccc(-c2nc(Nc3ccncc3F)c3c(CCN4CCN(C)CC4)ccn3n2)n1
InChIInChI=1S/C24H27FN8O/c1-31-12-14-32(15-13-31)10-7-17-8-11-33-22(17)24(28-19-6-9-26-16-18(19)25)29-23(30-33)20-4-3-5-21(27-20)34-2/h3-6,8-9,11,16H,7,10,12-15H2,1-2H3,(H,26,28,29,30)
InChIKeyZGFMLAWDIDVYHM-UHFFFAOYSA-N
XLogP2.87
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

Pyrazolo[1,5-b]pyridazine deriv. 70
CID 6539412
N-(3-methoxyphenyl)-1-methyl-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 16456451
7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine
CID 25064730
3-(4-methoxyphenyl)-~{N}-[(3~{R})-1-pyridin-4-ylpyrrolidin-3-yl]-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine
CID 86278982
(2S)-1-[4-[4-[[7-(6-methoxy-3-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]propan-2-ol
CID 57390492
7-(6-methoxy-3-pyridinyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 57390672
2-[4-[4-[[7-(6-Methoxy-3-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]acetamide
CID 57397964
[7-(2-Methoxy-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-yl]-[3-(4-methyl-piperazin-1-yl)-phenyl]-amine
CID 57402937
N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 57402938
(S)-1-(3-methoxy-6-(6-(6-methylpyrazin-2-yl)-1H-pyrazolo[4,3-c]pyridin-1-yl)pyridin-2-yl)piperidin-3-amine
CID 77050662
Tyk2-IN-14
CID 138560421
Ker-047
CID 142464264

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 126484252) is N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is COc1cccc(-c2nc(Nc3ccncc3F)c3c(CCN4CCN(C)CC4)ccn3n2)n1.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is ZGFMLAWDIDVYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN8O/c1-31-12-14-32(15-13-31)10-7-17-8-11-33-22(17)24(28-19-6-9-26-16-18(19)25)29-23(30-33)20-4-3-5-21(27-20)34-2/h3-6,8-9,11,16H,7,10,12-15H2,1-2H3,(H,26,28,29,30).
What are the key properties of N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 462.53 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 126484252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).