4-[5-(4-fluorophenyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclohexan-1-ol

C18H18FN3O — CID 118446782

IUPAC4-[5-(4-fluorophenyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclohexan-1-ol
SMILESOC1CCC(c2cn(-c3ccc(F)cc3)c3cncnc23)CC1
InChIInChI=1S/C18H18FN3O/c19-13-3-5-14(6-4-13)22-10-16(12-1-7-15(23)8-2-12)18-17(22)9-20-11-21-18/h3-6,9-12,15,23H,1-2,7-8H2
InChIKeyQMNZSWMEJZCVHH-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.58
Rot. Bonds2

About 4-[5-(4-fluorophenyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclohexan-1-ol

4-[5-(4-fluorophenyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclohexan-1-ol (PubChem CID 118446782) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclohexan-1-ol
PubChem CID118446782
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name4-[5-(4-fluorophenyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclohexan-1-ol
SMILESOC1CCC(c2cn(-c3ccc(F)cc3)c3cncnc23)CC1
InChIInChI=1S/C18H18FN3O/c19-13-3-5-14(6-4-13)22-10-16(12-1-7-15(23)8-2-12)18-17(22)9-20-11-21-18/h3-6,9-12,15,23H,1-2,7-8H2
InChIKeyQMNZSWMEJZCVHH-UHFFFAOYSA-N
XLogP3.58
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-5-(4-fluorophenyl)-7-(4-nitrosocyclohexyl)pyrrolo[3,2-d]pyrimidin-2-amine
CID 123923344
5-[[4-[5-[2-[dimethylamino(hydroxy)methyl]-4-fluorophenyl]pyrrolo[3,2-d]pyrimidin-7-yl]piperidin-1-yl]methyl]-4-methyl-1H-indole-2-carbonitrile
CID 170108542
3-(4-amino-5-phenylpyrrolo[3,2-d]pyrimidin-7-yl)cyclopentan-1-ol
CID 54246096
N-[[4-[4-amino-7-(4-hydroxycyclohexyl)pyrrolo[3,2-d]pyrimidin-5-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 167439428
4-(2,5-difluorophenyl)cyclohexan-1-ol
CID 116963227
4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]cyclohexan-1-ol
CID 116881267
2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethanol;hydrochloride
CID 139829310
8-[4-[4-(3,5,8,11,13-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-8-yl)phenyl]phenyl]-3,5,8,11,13-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 59653619
2-[2-[4-[1-(4-fluorophenyl)-5-(2-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethoxy]ethanol
CID 10173941
3-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]propan-1-ol
CID 10194843
3-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)indole
CID 57303088
4-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]cyclohexan-1-ol
CID 122605011

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclohexan-1-ol?
The IUPAC name of 4-[5-(4-fluorophenyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclohexan-1-ol (CID 118446782) is 4-[5-(4-fluorophenyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[5-(4-fluorophenyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[5-(4-fluorophenyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclohexan-1-ol is OC1CCC(c2cn(-c3ccc(F)cc3)c3cncnc23)CC1.
What is the InChIKey of 4-[5-(4-fluorophenyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclohexan-1-ol?
The InChIKey is QMNZSWMEJZCVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c19-13-3-5-14(6-4-13)22-10-16(12-1-7-15(23)8-2-12)18-17(22)9-20-11-21-18/h3-6,9-12,15,23H,1-2,7-8H2.
What are the key properties of 4-[5-(4-fluorophenyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclohexan-1-ol?
4-[5-(4-fluorophenyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclohexan-1-ol has a molecular weight of 311.36 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclohexan-1-ol is sourced from PubChem (CID 118446782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).