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

C23H24FN3O — CID 137299148

IUPAC4-[6-[(3-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(Cc1cccc(F)c1)CC2
InChIInChI=1S/C23H24FN3O/c1-15(2)23-25-21-10-11-27(13-16-4-3-5-18(24)12-16)14-20(21)22(26-23)17-6-8-19(28)9-7-17/h3-9,12,15,28H,10-11,13-14H2,1-2H3
InChIKeySMNZOXCMRPJKHF-UHFFFAOYSA-N
MW377.46 g/mol
LogP4.67
Rot. Bonds4

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

4-[6-[(3-fluorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol (PubChem CID 137299148) has the molecular formula C23H24FN3O and a molecular weight of 377.46 g/mol. Its IUPAC name is 4-[6-[(3-fluorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name4-[6-[(3-fluorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol
PubChem CID137299148
Molecular FormulaC23H24FN3O
Molecular Weight377.46 g/mol
Exact Mass377.19
IUPAC Name4-[6-[(3-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(Cc1cccc(F)c1)CC2
InChIInChI=1S/C23H24FN3O/c1-15(2)23-25-21-10-11-27(13-16-4-3-5-18(24)12-16)14-20(21)22(26-23)17-6-8-19(28)9-7-17/h3-9,12,15,28H,10-11,13-14H2,1-2H3
InChIKeySMNZOXCMRPJKHF-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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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(3-fluorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol?
The IUPAC name of 4-[6-[(3-fluorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol (CID 137299148) is 4-[6-[(3-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-[(3-fluorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol?
The canonical SMILES for 4-[6-[(3-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(Cc1cccc(F)c1)CC2.
What is the InChIKey of 4-[6-[(3-fluorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol?
The InChIKey is SMNZOXCMRPJKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O/c1-15(2)23-25-21-10-11-27(13-16-4-3-5-18(24)12-16)14-20(21)22(26-23)17-6-8-19(28)9-7-17/h3-9,12,15,28H,10-11,13-14H2,1-2H3.
What are the key properties of 4-[6-[(3-fluorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol?
4-[6-[(3-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-[(3-fluorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol is sourced from PubChem (CID 137299148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).