N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

C26H27FN8 — CID 10217304

IUPACN-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCN1CCN(Cc2ccn3ncnc(Nc4ccc5c(cnn5Cc5cccc(F)c5)c4)c23)CC1
InChIInChI=1S/C26H27FN8/c1-32-9-11-33(12-10-32)17-20-7-8-34-25(20)26(28-18-30-34)31-23-5-6-24-21(14-23)15-29-35(24)16-19-3-2-4-22(27)13-19/h2-8,13-15,18H,9-12,16-17H2,1H3,(H,28,30,31)
InChIKeyDQYLUXJFGRYNJA-UHFFFAOYSA-N
MW470.56 g/mol
LogP3.76
Rot. Bonds6

About N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 10217304) has the molecular formula C26H27FN8 and a molecular weight of 470.56 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID10217304
Molecular FormulaC26H27FN8
Molecular Weight470.56 g/mol
Exact Mass470.23
IUPAC NameN-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCN1CCN(Cc2ccn3ncnc(Nc4ccc5c(cnn5Cc5cccc(F)c5)c4)c23)CC1
InChIInChI=1S/C26H27FN8/c1-32-9-11-33(12-10-32)17-20-7-8-34-25(20)26(28-18-30-34)31-23-5-6-24-21(14-23)15-29-35(24)16-19-3-2-4-22(27)13-19/h2-8,13-15,18H,9-12,16-17H2,1H3,(H,28,30,31)
InChIKeyDQYLUXJFGRYNJA-UHFFFAOYSA-N
XLogP3.76
TPSA66.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.56
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 10217304) is N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is CN1CCN(Cc2ccn3ncnc(Nc4ccc5c(cnn5Cc5cccc(F)c5)c4)c23)CC1.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is DQYLUXJFGRYNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN8/c1-32-9-11-33(12-10-32)17-20-7-8-34-25(20)26(28-18-30-34)31-23-5-6-24-21(14-23)15-29-35(24)16-19-3-2-4-22(27)13-19/h2-8,13-15,18H,9-12,16-17H2,1H3,(H,28,30,31).
What are the key properties of N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 470.56 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 10217304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).