4-[6-[(4-fluorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol

C23H24FN3O — CID 137299211

IUPAC4-[6-[(4-fluorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol
SMILESCC(C)c1nc2c(c(-c3ccc(O)cc3)n1)CN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C23H24FN3O/c1-15(2)23-25-21-11-12-27(13-16-3-7-18(24)8-4-16)14-20(21)22(26-23)17-5-9-19(28)10-6-17/h3-10,15,28H,11-14H2,1-2H3
InChIKeyRRTSZUJMFWCRIC-UHFFFAOYSA-N
MW377.46 g/mol
LogP4.67
Rot. Bonds4

About 4-[6-[(4-fluorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol

4-[6-[(4-fluorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol (PubChem CID 137299211) has the molecular formula C23H24FN3O and a molecular weight of 377.46 g/mol. Its IUPAC name is 4-[6-[(4-fluorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name4-[6-[(4-fluorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol
PubChem CID137299211
Molecular FormulaC23H24FN3O
Molecular Weight377.46 g/mol
Exact Mass377.19
IUPAC Name4-[6-[(4-fluorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol
SMILESCC(C)c1nc2c(c(-c3ccc(O)cc3)n1)CN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C23H24FN3O/c1-15(2)23-25-21-11-12-27(13-16-3-7-18(24)8-4-16)14-20(21)22(26-23)17-5-9-19(28)10-6-17/h3-10,15,28H,11-14H2,1-2H3
InChIKeyRRTSZUJMFWCRIC-UHFFFAOYSA-N
XLogP4.67
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[6-(4-Hydroxyphenyl)-2-phenylpyrimidin-4-yl]phenol
CID 789621
4-[4-(4-Fluorophenyl)-2-pyrimidinyl]benzenol
CID 1479911
2-(4-(4-Methylpiperidin-1-yl)quinazolin-2-yl)phenol
CID 710985
2-[2-(4-fluoroanilino)-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-6-ol;hydrochloride
CID 18315831
2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]-6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 46945651
4-[6-(Methyl-phenethyl-amino)-4-phenyl-pyridin-2-yl]-phenol
CID 135987657
4-[6-(Methyl-phenethyl-amino)-4-o-tolyl-pyridin-2-yl]-phenol
CID 135987663
2-(4-(4-Methylpiperazin-1-yl)quinazolin-2-yl)phenol
CID 879195
2-[4-(3-Methylpiperidin-1-yl)quinazolin-2-yl]phenol
CID 2921233
2-(4-Methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl)phenol
CID 947317
4-Methyl-2-(2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl)phenol
CID 1069571
4-[4-(4-Methylphenyl)-2-pyrimidinyl]benzenol
CID 1479917

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(4-fluorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol?
The IUPAC name of 4-[6-[(4-fluorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol (CID 137299211) is 4-[6-[(4-fluorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol.
What is the SMILES notation for 4-[6-[(4-fluorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol?
The canonical SMILES for 4-[6-[(4-fluorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol is CC(C)c1nc2c(c(-c3ccc(O)cc3)n1)CN(Cc1ccc(F)cc1)CC2.
What is the InChIKey of 4-[6-[(4-fluorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol?
The InChIKey is RRTSZUJMFWCRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O/c1-15(2)23-25-21-11-12-27(13-16-3-7-18(24)8-4-16)14-20(21)22(26-23)17-5-9-19(28)10-6-17/h3-10,15,28H,11-14H2,1-2H3.
What are the key properties of 4-[6-[(4-fluorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol?
4-[6-[(4-fluorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol has a molecular weight of 377.46 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(4-fluorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol is sourced from PubChem (CID 137299211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).