[3-[4-amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]methanol

C22H24N6O — CID 155534735

IUPAC[3-[4-amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]methanol
SMILESNc1ncnn2c(-c3cccc(CO)c3)cc(-c3ccnn3C3CCCCC3)c12
InChIInChI=1S/C22H24N6O/c23-22-21-18(19-9-10-25-27(19)17-7-2-1-3-8-17)12-20(28(21)26-14-24-22)16-6-4-5-15(11-16)13-29/h4-6,9-12,14,17,29H,1-3,7-8,13H2,(H2,23,24,26)
InChIKeyDNMNAAGXRWJPOS-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.84
Rot. Bonds4

About [3-[4-amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]methanol

[3-[4-amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]methanol (PubChem CID 155534735) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is [3-[4-amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[4-amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]methanol
PubChem CID155534735
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name[3-[4-amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]methanol
SMILESNc1ncnn2c(-c3cccc(CO)c3)cc(-c3ccnn3C3CCCCC3)c12
InChIInChI=1S/C22H24N6O/c23-22-21-18(19-9-10-25-27(19)17-7-2-1-3-8-17)12-20(28(21)26-14-24-22)16-6-4-5-15(11-16)13-29/h4-6,9-12,14,17,29H,1-3,7-8,13H2,(H2,23,24,26)
InChIKeyDNMNAAGXRWJPOS-UHFFFAOYSA-N
XLogP3.84
TPSA94.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[4-amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]methanol?
The IUPAC name of [3-[4-amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]methanol (CID 155534735) is [3-[4-amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]methanol.
What is the SMILES notation for [3-[4-amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]methanol?
The canonical SMILES for [3-[4-amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]methanol is Nc1ncnn2c(-c3cccc(CO)c3)cc(-c3ccnn3C3CCCCC3)c12.
What is the InChIKey of [3-[4-amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]methanol?
The InChIKey is DNMNAAGXRWJPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c23-22-21-18(19-9-10-25-27(19)17-7-2-1-3-8-17)12-20(28(21)26-14-24-22)16-6-4-5-15(11-16)13-29/h4-6,9-12,14,17,29H,1-3,7-8,13H2,(H2,23,24,26).
What are the key properties of [3-[4-amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]methanol?
[3-[4-amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]methanol has a molecular weight of 388.48 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]methanol is sourced from PubChem (CID 155534735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).