4-(4-amino-8-fluoropyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol

C17H11FN4O — CID 155630281

IUPAC4-(4-amino-8-fluoropyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol
SMILESNc1ncnc2c(F)c(-c3cc(O)cc4ccccc34)ncc12
InChIInChI=1S/C17H11FN4O/c18-14-15(20-7-13-16(14)21-8-22-17(13)19)12-6-10(23)5-9-3-1-2-4-11(9)12/h1-8,23H,(H2,19,21,22)
InChIKeyWYJNCBGYKURRPP-UHFFFAOYSA-N
MW306.30 g/mol
LogP3.27
Rot. Bonds1

About 4-(4-amino-8-fluoropyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol

4-(4-amino-8-fluoropyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol (PubChem CID 155630281) has the molecular formula C17H11FN4O and a molecular weight of 306.30 g/mol. Its IUPAC name is 4-(4-amino-8-fluoropyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol.

Molecular Properties

Compound Name4-(4-amino-8-fluoropyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol
PubChem CID155630281
Molecular FormulaC17H11FN4O
Molecular Weight306.30 g/mol
Exact Mass306.09
IUPAC Name4-(4-amino-8-fluoropyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol
SMILESNc1ncnc2c(F)c(-c3cc(O)cc4ccccc34)ncc12
InChIInChI=1S/C17H11FN4O/c18-14-15(20-7-13-16(14)21-8-22-17(13)19)12-6-10(23)5-9-3-1-2-4-11(9)12/h1-8,23H,(H2,19,21,22)
InChIKeyWYJNCBGYKURRPP-UHFFFAOYSA-N
XLogP3.27
TPSA84.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-8-fluoropyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol?
The IUPAC name of 4-(4-amino-8-fluoropyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol (CID 155630281) is 4-(4-amino-8-fluoropyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol.
What is the SMILES notation for 4-(4-amino-8-fluoropyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol?
The canonical SMILES for 4-(4-amino-8-fluoropyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol is Nc1ncnc2c(F)c(-c3cc(O)cc4ccccc34)ncc12.
What is the InChIKey of 4-(4-amino-8-fluoropyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol?
The InChIKey is WYJNCBGYKURRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4O/c18-14-15(20-7-13-16(14)21-8-22-17(13)19)12-6-10(23)5-9-3-1-2-4-11(9)12/h1-8,23H,(H2,19,21,22).
What are the key properties of 4-(4-amino-8-fluoropyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol?
4-(4-amino-8-fluoropyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol has a molecular weight of 306.30 g/mol, XLogP of 3.27, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-8-fluoropyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol is sourced from PubChem (CID 155630281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).