[4-(4-amino-7-piperidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2-fluoro-6-methylphenyl]methanol

C19H22FN5O — CID 71187515

IUPAC[4-(4-amino-7-piperidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2-fluoro-6-methylphenyl]methanol
SMILESCc1cc(-c2cc(C3CCCNC3)n3ncnc(N)c23)cc(F)c1CO
InChIInChI=1S/C19H22FN5O/c1-11-5-13(6-16(20)15(11)9-26)14-7-17(12-3-2-4-22-8-12)25-18(14)19(21)23-10-24-25/h5-7,10,12,22,26H,2-4,8-9H2,1H3,(H2,21,23,24)
InChIKeyYXBKQVQHUYJBEU-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.39
Rot. Bonds3

About [4-(4-amino-7-piperidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2-fluoro-6-methylphenyl]methanol

[4-(4-amino-7-piperidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2-fluoro-6-methylphenyl]methanol (PubChem CID 71187515) has the molecular formula C19H22FN5O and a molecular weight of 355.42 g/mol. Its IUPAC name is [4-(4-amino-7-piperidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2-fluoro-6-methylphenyl]methanol.

Molecular Properties

Compound Name[4-(4-amino-7-piperidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2-fluoro-6-methylphenyl]methanol
PubChem CID71187515
Molecular FormulaC19H22FN5O
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC Name[4-(4-amino-7-piperidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2-fluoro-6-methylphenyl]methanol
SMILESCc1cc(-c2cc(C3CCCNC3)n3ncnc(N)c23)cc(F)c1CO
InChIInChI=1S/C19H22FN5O/c1-11-5-13(6-16(20)15(11)9-26)14-7-17(12-3-2-4-22-8-12)25-18(14)19(21)23-10-24-25/h5-7,10,12,22,26H,2-4,8-9H2,1H3,(H2,21,23,24)
InChIKeyYXBKQVQHUYJBEU-UHFFFAOYSA-N
XLogP2.39
TPSA88.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-7-piperidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2-fluoro-6-methylphenyl]methanol?
The IUPAC name of [4-(4-amino-7-piperidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2-fluoro-6-methylphenyl]methanol (CID 71187515) is [4-(4-amino-7-piperidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2-fluoro-6-methylphenyl]methanol.
What is the SMILES notation for [4-(4-amino-7-piperidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2-fluoro-6-methylphenyl]methanol?
The canonical SMILES for [4-(4-amino-7-piperidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2-fluoro-6-methylphenyl]methanol is Cc1cc(-c2cc(C3CCCNC3)n3ncnc(N)c23)cc(F)c1CO.
What is the InChIKey of [4-(4-amino-7-piperidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2-fluoro-6-methylphenyl]methanol?
The InChIKey is YXBKQVQHUYJBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O/c1-11-5-13(6-16(20)15(11)9-26)14-7-17(12-3-2-4-22-8-12)25-18(14)19(21)23-10-24-25/h5-7,10,12,22,26H,2-4,8-9H2,1H3,(H2,21,23,24).
What are the key properties of [4-(4-amino-7-piperidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2-fluoro-6-methylphenyl]methanol?
[4-(4-amino-7-piperidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2-fluoro-6-methylphenyl]methanol has a molecular weight of 355.42 g/mol, XLogP of 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-7-piperidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2-fluoro-6-methylphenyl]methanol is sourced from PubChem (CID 71187515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).