1-[4-(4-fluorophenoxy)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,3-dimethylbutan-1-one

C24H25FN4O2 — CID 92552194

IUPAC1-[4-(4-fluorophenoxy)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCc2nc(-c3cccnc3)nc(Oc3ccc(F)cc3)c2C1
InChIInChI=1S/C24H25FN4O2/c1-24(2,3)13-21(30)29-12-10-20-19(15-29)23(31-18-8-6-17(25)7-9-18)28-22(27-20)16-5-4-11-26-14-16/h4-9,11,14H,10,12-13,15H2,1-3H3
InChIKeyNLUDWYOSXRUOMN-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.79
Rot. Bonds4

About 1-[4-(4-fluorophenoxy)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,3-dimethylbutan-1-one

1-[4-(4-fluorophenoxy)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,3-dimethylbutan-1-one (PubChem CID 92552194) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is 1-[4-(4-fluorophenoxy)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-[4-(4-fluorophenoxy)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,3-dimethylbutan-1-one
PubChem CID92552194
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC Name1-[4-(4-fluorophenoxy)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCc2nc(-c3cccnc3)nc(Oc3ccc(F)cc3)c2C1
InChIInChI=1S/C24H25FN4O2/c1-24(2,3)13-21(30)29-12-10-20-19(15-29)23(31-18-8-6-17(25)7-9-18)28-22(27-20)16-5-4-11-26-14-16/h4-9,11,14H,10,12-13,15H2,1-3H3
InChIKeyNLUDWYOSXRUOMN-UHFFFAOYSA-N
XLogP4.79
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenoxy)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,3-dimethylbutan-1-one?
The IUPAC name of 1-[4-(4-fluorophenoxy)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,3-dimethylbutan-1-one (CID 92552194) is 1-[4-(4-fluorophenoxy)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-[4-(4-fluorophenoxy)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-[4-(4-fluorophenoxy)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,3-dimethylbutan-1-one is CC(C)(C)CC(=O)N1CCc2nc(-c3cccnc3)nc(Oc3ccc(F)cc3)c2C1.
What is the InChIKey of 1-[4-(4-fluorophenoxy)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,3-dimethylbutan-1-one?
The InChIKey is NLUDWYOSXRUOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2/c1-24(2,3)13-21(30)29-12-10-20-19(15-29)23(31-18-8-6-17(25)7-9-18)28-22(27-20)16-5-4-11-26-14-16/h4-9,11,14H,10,12-13,15H2,1-3H3.
What are the key properties of 1-[4-(4-fluorophenoxy)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,3-dimethylbutan-1-one?
1-[4-(4-fluorophenoxy)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,3-dimethylbutan-1-one has a molecular weight of 420.49 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenoxy)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 92552194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).