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

C22H24N6O — CID 155527495

IUPAC[4-[4-amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]methanol
SMILESNc1ncnn2c(-c3ccc(CO)cc3)cc(-c3ccnn3C3CCCCC3)c12
InChIInChI=1S/C22H24N6O/c23-22-21-18(19-10-11-25-27(19)17-4-2-1-3-5-17)12-20(28(21)26-14-24-22)16-8-6-15(13-29)7-9-16/h6-12,14,17,29H,1-5,13H2,(H2,23,24,26)
InChIKeyXRSOAUGHNOMPOZ-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.84
Rot. Bonds4

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

[4-[4-amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]methanol (PubChem CID 155527495) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is [4-[4-amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[4-amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]methanol
PubChem CID155527495
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name[4-[4-amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]methanol
SMILESNc1ncnn2c(-c3ccc(CO)cc3)cc(-c3ccnn3C3CCCCC3)c12
InChIInChI=1S/C22H24N6O/c23-22-21-18(19-10-11-25-27(19)17-4-2-1-3-5-17)12-20(28(21)26-14-24-22)16-8-6-15(13-29)7-9-16/h6-12,14,17,29H,1-5,13H2,(H2,23,24,26)
InChIKeyXRSOAUGHNOMPOZ-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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Related Compounds

US10214537, Example 90
CID 130363112
7-[3-(4-Methylpiperazin-1-yl)phenyl]-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 130363418
US10214537, Example 98
CID 130363463
7-[2-(1-Imidazolyl)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455594
US10399985, Example 15
CID 118278198
2-[3-(7-Amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol
CID 118708238
3-[3-(7-Amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol
CID 118708239
[4-[(1-Benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methanol
CID 21945809
(4-[1-(3-Fluoro-benzyl)-1H-indazol-5-ylamino]-pyrrolo[2,1-f][1,2,4]triazin-5-yl}-methanol
CID 22390542
1-[4-(8-Amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-1-phenylethanol
CID 44539387
[4-[[5-(1-Ethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol
CID 59186263
7-(Cyclopropylamino)-5-[6-(hydroxymethyl)indol-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 70692775

Frequently Asked Questions

What is the IUPAC name of [4-[4-amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]methanol?
The IUPAC name of [4-[4-amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]methanol (CID 155527495) is [4-[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 [4-[4-amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]methanol?
The canonical SMILES for [4-[4-amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]methanol is Nc1ncnn2c(-c3ccc(CO)cc3)cc(-c3ccnn3C3CCCCC3)c12.
What is the InChIKey of [4-[4-amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]methanol?
The InChIKey is XRSOAUGHNOMPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c23-22-21-18(19-10-11-25-27(19)17-4-2-1-3-5-17)12-20(28(21)26-14-24-22)16-8-6-15(13-29)7-9-16/h6-12,14,17,29H,1-5,13H2,(H2,23,24,26).
What are the key properties of [4-[4-amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]methanol?
[4-[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 [4-[4-amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]methanol is sourced from PubChem (CID 155527495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).