3-(3-hydroxycyclopentyl)-8-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-one

C24H19F3N4O2 — CID 166803697

IUPAC3-(3-hydroxycyclopentyl)-8-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2cc(-c3ccc(C(F)(F)F)cc3)nc(-c3cccnc3)c2ncn1C1CCC(O)C1
InChIInChI=1S/C24H19F3N4O2/c25-24(26,27)16-5-3-14(4-6-16)20-11-19-22(21(30-20)15-2-1-9-28-12-15)29-13-31(23(19)33)17-7-8-18(32)10-17/h1-6,9,11-13,17-18,32H,7-8,10H2
InChIKeyHFAVNMBTEGJIJA-UHFFFAOYSA-N
MW452.44 g/mol
LogP4.63
Rot. Bonds3

About 3-(3-hydroxycyclopentyl)-8-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-one

3-(3-hydroxycyclopentyl)-8-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-one (PubChem CID 166803697) has the molecular formula C24H19F3N4O2 and a molecular weight of 452.44 g/mol. Its IUPAC name is 3-(3-hydroxycyclopentyl)-8-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(3-hydroxycyclopentyl)-8-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-one
PubChem CID166803697
Molecular FormulaC24H19F3N4O2
Molecular Weight452.44 g/mol
Exact Mass452.15
IUPAC Name3-(3-hydroxycyclopentyl)-8-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2cc(-c3ccc(C(F)(F)F)cc3)nc(-c3cccnc3)c2ncn1C1CCC(O)C1
InChIInChI=1S/C24H19F3N4O2/c25-24(26,27)16-5-3-14(4-6-16)20-11-19-22(21(30-20)15-2-1-9-28-12-15)29-13-31(23(19)33)17-7-8-18(32)10-17/h1-6,9,11-13,17-18,32H,7-8,10H2
InChIKeyHFAVNMBTEGJIJA-UHFFFAOYSA-N
XLogP4.63
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxycyclopentyl)-8-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-(3-hydroxycyclopentyl)-8-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-one (CID 166803697) is 3-(3-hydroxycyclopentyl)-8-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-(3-hydroxycyclopentyl)-8-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-(3-hydroxycyclopentyl)-8-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-one is O=c1c2cc(-c3ccc(C(F)(F)F)cc3)nc(-c3cccnc3)c2ncn1C1CCC(O)C1.
What is the InChIKey of 3-(3-hydroxycyclopentyl)-8-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is HFAVNMBTEGJIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O2/c25-24(26,27)16-5-3-14(4-6-16)20-11-19-22(21(30-20)15-2-1-9-28-12-15)29-13-31(23(19)33)17-7-8-18(32)10-17/h1-6,9,11-13,17-18,32H,7-8,10H2.
What are the key properties of 3-(3-hydroxycyclopentyl)-8-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-one?
3-(3-hydroxycyclopentyl)-8-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 452.44 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxycyclopentyl)-8-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 166803697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).