[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-(4-fluorophenyl)methanol

C17H14ClFN6O — CID 58494474

IUPAC[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-(4-fluorophenyl)methanol
SMILESCc1cc(Nc2nc(C(O)c3ccc(F)cc3)nn3cc(Cl)cc23)n[nH]1
InChIInChI=1S/C17H14ClFN6O/c1-9-6-14(23-22-9)20-16-13-7-11(18)8-25(13)24-17(21-16)15(26)10-2-4-12(19)5-3-10/h2-8,15,26H,1H3,(H2,20,21,22,23,24)
InChIKeyGNXOUEQINFKRCW-UHFFFAOYSA-N
MW372.79 g/mol
LogP3.38
Rot. Bonds4

About [6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-(4-fluorophenyl)methanol

[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-(4-fluorophenyl)methanol (PubChem CID 58494474) has the molecular formula C17H14ClFN6O and a molecular weight of 372.79 g/mol. Its IUPAC name is [6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-(4-fluorophenyl)methanol
PubChem CID58494474
Molecular FormulaC17H14ClFN6O
Molecular Weight372.79 g/mol
Exact Mass372.09
IUPAC Name[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-(4-fluorophenyl)methanol
SMILESCc1cc(Nc2nc(C(O)c3ccc(F)cc3)nn3cc(Cl)cc23)n[nH]1
InChIInChI=1S/C17H14ClFN6O/c1-9-6-14(23-22-9)20-16-13-7-11(18)8-25(13)24-17(21-16)15(26)10-2-4-12(19)5-3-10/h2-8,15,26H,1H3,(H2,20,21,22,23,24)
InChIKeyGNXOUEQINFKRCW-UHFFFAOYSA-N
XLogP3.38
TPSA91.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.79
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-(4-fluorophenyl)methanol?
The IUPAC name of [6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-(4-fluorophenyl)methanol (CID 58494474) is [6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-(4-fluorophenyl)methanol.
What is the SMILES notation for [6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-(4-fluorophenyl)methanol?
The canonical SMILES for [6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-(4-fluorophenyl)methanol is Cc1cc(Nc2nc(C(O)c3ccc(F)cc3)nn3cc(Cl)cc23)n[nH]1.
What is the InChIKey of [6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-(4-fluorophenyl)methanol?
The InChIKey is GNXOUEQINFKRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN6O/c1-9-6-14(23-22-9)20-16-13-7-11(18)8-25(13)24-17(21-16)15(26)10-2-4-12(19)5-3-10/h2-8,15,26H,1H3,(H2,20,21,22,23,24).
What are the key properties of [6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-(4-fluorophenyl)methanol?
[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-(4-fluorophenyl)methanol has a molecular weight of 372.79 g/mol, XLogP of 3.38, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-(4-fluorophenyl)methanol is sourced from PubChem (CID 58494474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).