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

C23H22FN3O — CID 137299083

IUPAC4-[2-cyclopropyl-6-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol
SMILESOc1ccc(-c2nc(C3CC3)nc3c2CN(Cc2ccc(F)cc2)CC3)cc1
InChIInChI=1S/C23H22FN3O/c24-18-7-1-15(2-8-18)13-27-12-11-21-20(14-27)22(16-5-9-19(28)10-6-16)26-23(25-21)17-3-4-17/h1-2,5-10,17,28H,3-4,11-14H2
InChIKeySABUELQLHONOIX-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.42
Rot. Bonds4

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

4-[2-cyclopropyl-6-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol (PubChem CID 137299083) has the molecular formula C23H22FN3O and a molecular weight of 375.45 g/mol. Its IUPAC name is 4-[2-cyclopropyl-6-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name4-[2-cyclopropyl-6-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol
PubChem CID137299083
Molecular FormulaC23H22FN3O
Molecular Weight375.45 g/mol
Exact Mass375.17
IUPAC Name4-[2-cyclopropyl-6-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol
SMILESOc1ccc(-c2nc(C3CC3)nc3c2CN(Cc2ccc(F)cc2)CC3)cc1
InChIInChI=1S/C23H22FN3O/c24-18-7-1-15(2-8-18)13-27-12-11-21-20(14-27)22(16-5-9-19(28)10-6-16)26-23(25-21)17-3-4-17/h1-2,5-10,17,28H,3-4,11-14H2
InChIKeySABUELQLHONOIX-UHFFFAOYSA-N
XLogP4.42
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclopropyl-6-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol?
The IUPAC name of 4-[2-cyclopropyl-6-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol (CID 137299083) is 4-[2-cyclopropyl-6-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol.
What is the SMILES notation for 4-[2-cyclopropyl-6-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol?
The canonical SMILES for 4-[2-cyclopropyl-6-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol is Oc1ccc(-c2nc(C3CC3)nc3c2CN(Cc2ccc(F)cc2)CC3)cc1.
What is the InChIKey of 4-[2-cyclopropyl-6-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol?
The InChIKey is SABUELQLHONOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O/c24-18-7-1-15(2-8-18)13-27-12-11-21-20(14-27)22(16-5-9-19(28)10-6-16)26-23(25-21)17-3-4-17/h1-2,5-10,17,28H,3-4,11-14H2.
What are the key properties of 4-[2-cyclopropyl-6-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol?
4-[2-cyclopropyl-6-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol has a molecular weight of 375.45 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyclopropyl-6-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol is sourced from PubChem (CID 137299083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).