5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

C24H23ClFN9O — CID 146249278

IUPAC5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNC1CCN(Cc2ccn3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(Cl)c4F)c23)CC1
InChIInChI=1S/C24H23ClFN9O/c25-21-19(36-17-6-10-34-20(11-17)28-13-30-34)2-1-18(22(21)26)32-24-23-15(3-9-35(23)31-14-29-24)12-33-7-4-16(27)5-8-33/h1-3,6,9-11,13-14,16H,4-5,7-8,12,27H2,(H,29,31,32)
InChIKeyVEUPQFZZGZKGQD-UHFFFAOYSA-N
MW507.96 g/mol
LogP4.02
Rot. Bonds6

About 5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 146249278) has the molecular formula C24H23ClFN9O and a molecular weight of 507.96 g/mol. Its IUPAC name is 5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID146249278
Molecular FormulaC24H23ClFN9O
Molecular Weight507.96 g/mol
Exact Mass507.17
IUPAC Name5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNC1CCN(Cc2ccn3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(Cl)c4F)c23)CC1
InChIInChI=1S/C24H23ClFN9O/c25-21-19(36-17-6-10-34-20(11-17)28-13-30-34)2-1-18(22(21)26)32-24-23-15(3-9-35(23)31-14-29-24)12-33-7-4-16(27)5-8-33/h1-3,6,9-11,13-14,16H,4-5,7-8,12,27H2,(H,29,31,32)
InChIKeyVEUPQFZZGZKGQD-UHFFFAOYSA-N
XLogP4.02
TPSA110.90 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.96
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 146249278) is 5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is NC1CCN(Cc2ccn3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(Cl)c4F)c23)CC1.
What is the InChIKey of 5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is VEUPQFZZGZKGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN9O/c25-21-19(36-17-6-10-34-20(11-17)28-13-30-34)2-1-18(22(21)26)32-24-23-15(3-9-35(23)31-14-29-24)12-33-7-4-16(27)5-8-33/h1-3,6,9-11,13-14,16H,4-5,7-8,12,27H2,(H,29,31,32).
What are the key properties of 5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 507.96 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 146249278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).