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

C23H25FN8O — CID 126499510

IUPACN-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCOc1cccc(-c2nc(Nc3ccncc3F)c3c(CN4CCN(C)CC4)ccn3n2)n1
InChIInChI=1S/C23H25FN8O/c1-30-10-12-31(13-11-30)15-16-7-9-32-21(16)23(27-18-6-8-25-14-17(18)24)28-22(29-32)19-4-3-5-20(26-19)33-2/h3-9,14H,10-13,15H2,1-2H3,(H,25,27,28,29)
InChIKeySJYWEUGRQRLKEG-UHFFFAOYSA-N
MW448.51 g/mol
LogP2.83
Rot. Bonds6

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

N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 126499510) has the molecular formula C23H25FN8O and a molecular weight of 448.51 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID126499510
Molecular FormulaC23H25FN8O
Molecular Weight448.51 g/mol
Exact Mass448.21
IUPAC NameN-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCOc1cccc(-c2nc(Nc3ccncc3F)c3c(CN4CCN(C)CC4)ccn3n2)n1
InChIInChI=1S/C23H25FN8O/c1-30-10-12-31(13-11-30)15-16-7-9-32-21(16)23(27-18-6-8-25-14-17(18)24)28-22(29-32)19-4-3-5-20(26-19)33-2/h3-9,14H,10-13,15H2,1-2H3,(H,25,27,28,29)
InChIKeySJYWEUGRQRLKEG-UHFFFAOYSA-N
XLogP2.83
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.51
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]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-[(4-methylpiperazin-1-yl)methyl]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-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 126499510) is N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]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-[(4-methylpiperazin-1-yl)methyl]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-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is COc1cccc(-c2nc(Nc3ccncc3F)c3c(CN4CCN(C)CC4)ccn3n2)n1.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is SJYWEUGRQRLKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN8O/c1-30-10-12-31(13-11-30)15-16-7-9-32-21(16)23(27-18-6-8-25-14-17(18)24)28-22(29-32)19-4-3-5-20(26-19)33-2/h3-9,14H,10-13,15H2,1-2H3,(H,25,27,28,29).
What are the key properties of N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 448.51 g/mol, XLogP of 2.83, 6 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-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 126499510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).