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

C23H22FN3O2 — CID 137299101

IUPAC(4-fluorophenyl)-[4-(4-hydroxyphenyl)-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCC(C)c1nc2c(c(-c3ccc(O)cc3)n1)CN(C(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C23H22FN3O2/c1-14(2)22-25-20-11-12-27(23(29)16-3-7-17(24)8-4-16)13-19(20)21(26-22)15-5-9-18(28)10-6-15/h3-10,14,28H,11-13H2,1-2H3
InChIKeyYSKQQEPQDLATPP-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.31
Rot. Bonds3

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

(4-fluorophenyl)-[4-(4-hydroxyphenyl)-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (PubChem CID 137299101) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-(4-hydroxyphenyl)-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-(4-hydroxyphenyl)-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
PubChem CID137299101
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Name(4-fluorophenyl)-[4-(4-hydroxyphenyl)-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCC(C)c1nc2c(c(-c3ccc(O)cc3)n1)CN(C(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C23H22FN3O2/c1-14(2)22-25-20-11-12-27(23(29)16-3-7-17(24)8-4-16)13-19(20)21(26-22)15-5-9-18(28)10-6-15/h3-10,14,28H,11-13H2,1-2H3
InChIKeyYSKQQEPQDLATPP-UHFFFAOYSA-N
XLogP4.31
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-(4-hydroxyphenyl)-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-(4-hydroxyphenyl)-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (CID 137299101) is (4-fluorophenyl)-[4-(4-hydroxyphenyl)-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-(4-hydroxyphenyl)-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-(4-hydroxyphenyl)-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is CC(C)c1nc2c(c(-c3ccc(O)cc3)n1)CN(C(=O)c1ccc(F)cc1)CC2.
What is the InChIKey of (4-fluorophenyl)-[4-(4-hydroxyphenyl)-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The InChIKey is YSKQQEPQDLATPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c1-14(2)22-25-20-11-12-27(23(29)16-3-7-17(24)8-4-16)13-19(20)21(26-22)15-5-9-18(28)10-6-15/h3-10,14,28H,11-13H2,1-2H3.
What are the key properties of (4-fluorophenyl)-[4-(4-hydroxyphenyl)-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
(4-fluorophenyl)-[4-(4-hydroxyphenyl)-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone has a molecular weight of 391.45 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-(4-hydroxyphenyl)-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 137299101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).