6-(2,8-difluoro-7-methylpyrido[4,3-d]pyrimidin-4-yl)-8-fluoro-2-oxa-6-azabicyclo[5.1.0]octane

C14H13F3N4O — CID 176951754

IUPAC6-(2,8-difluoro-7-methylpyrido[4,3-d]pyrimidin-4-yl)-8-fluoro-2-oxa-6-azabicyclo[5.1.0]octane
SMILESCc1ncc2c(N3CCCOC4C(F)C43)nc(F)nc2c1F
InChIInChI=1S/C14H13F3N4O/c1-6-8(15)10-7(5-18-6)13(20-14(17)19-10)21-3-2-4-22-12-9(16)11(12)21/h5,9,11-12H,2-4H2,1H3
InChIKeyPMOXTGZMNBRLRA-UHFFFAOYSA-N
MW310.28 g/mol
LogP1.93
Rot. Bonds1

About 6-(2,8-difluoro-7-methylpyrido[4,3-d]pyrimidin-4-yl)-8-fluoro-2-oxa-6-azabicyclo[5.1.0]octane

6-(2,8-difluoro-7-methylpyrido[4,3-d]pyrimidin-4-yl)-8-fluoro-2-oxa-6-azabicyclo[5.1.0]octane (PubChem CID 176951754) has the molecular formula C14H13F3N4O and a molecular weight of 310.28 g/mol. Its IUPAC name is 6-(2,8-difluoro-7-methylpyrido[4,3-d]pyrimidin-4-yl)-8-fluoro-2-oxa-6-azabicyclo[5.1.0]octane.

Molecular Properties

Compound Name6-(2,8-difluoro-7-methylpyrido[4,3-d]pyrimidin-4-yl)-8-fluoro-2-oxa-6-azabicyclo[5.1.0]octane
PubChem CID176951754
Molecular FormulaC14H13F3N4O
Molecular Weight310.28 g/mol
Exact Mass310.10
IUPAC Name6-(2,8-difluoro-7-methylpyrido[4,3-d]pyrimidin-4-yl)-8-fluoro-2-oxa-6-azabicyclo[5.1.0]octane
SMILESCc1ncc2c(N3CCCOC4C(F)C43)nc(F)nc2c1F
InChIInChI=1S/C14H13F3N4O/c1-6-8(15)10-7(5-18-6)13(20-14(17)19-10)21-3-2-4-22-12-9(16)11(12)21/h5,9,11-12H,2-4H2,1H3
InChIKeyPMOXTGZMNBRLRA-UHFFFAOYSA-N
XLogP1.93
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(2,8-difluoro-7-methylpyrido[4,3-d]pyrimidin-4-yl)-8-fluoro-2-oxa-6-azabicyclo[5.1.0]octane with MolForge

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Launch Full Analysis

Related Compounds

1-(2-Chloro-8-fluoro-7-methylpyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol
CID 164535029
4-(7-Chloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidin-4-yl)-1,4-oxazepane
CID 166139873
1-[1-[[7-chloro-8-fluoro-4-(1,4-oxazepan-4-yl)pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]-N,N-dimethylmethanamine
CID 166139881
4-(2,7-Dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-1,4-oxazepane
CID 166139905
4-(7-Chloro-2,8-difluoropyrido[4,3-d]pyrimidin-4-yl)-1,4-oxazepane
CID 167468369
4-(7-Chloro-8-fluoro-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-yl)-1,4-oxazepane
CID 167468398
5-(2,7-Dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-2-oxa-5-azabicyclo[4.1.0]heptane
CID 169657721
5-(2,7-Dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-1,5-oxazocane
CID 169657742
2-(2,7-Dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-5-oxa-2-azabicyclo[5.1.0]octane
CID 169658821
4-(2,7-Dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-5-methyl-1,4-oxazepane
CID 169658828
4-(2,7-Dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-7-oxa-4-azaspiro[2.6]nonane
CID 169659158
4-(2,7-Dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-3,6-dimethyl-1,4-oxazepane
CID 169659161

Frequently Asked Questions

What is the IUPAC name of 6-(2,8-difluoro-7-methylpyrido[4,3-d]pyrimidin-4-yl)-8-fluoro-2-oxa-6-azabicyclo[5.1.0]octane?
The IUPAC name of 6-(2,8-difluoro-7-methylpyrido[4,3-d]pyrimidin-4-yl)-8-fluoro-2-oxa-6-azabicyclo[5.1.0]octane (CID 176951754) is 6-(2,8-difluoro-7-methylpyrido[4,3-d]pyrimidin-4-yl)-8-fluoro-2-oxa-6-azabicyclo[5.1.0]octane.
What is the SMILES notation for 6-(2,8-difluoro-7-methylpyrido[4,3-d]pyrimidin-4-yl)-8-fluoro-2-oxa-6-azabicyclo[5.1.0]octane?
The canonical SMILES for 6-(2,8-difluoro-7-methylpyrido[4,3-d]pyrimidin-4-yl)-8-fluoro-2-oxa-6-azabicyclo[5.1.0]octane is Cc1ncc2c(N3CCCOC4C(F)C43)nc(F)nc2c1F.
What is the InChIKey of 6-(2,8-difluoro-7-methylpyrido[4,3-d]pyrimidin-4-yl)-8-fluoro-2-oxa-6-azabicyclo[5.1.0]octane?
The InChIKey is PMOXTGZMNBRLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O/c1-6-8(15)10-7(5-18-6)13(20-14(17)19-10)21-3-2-4-22-12-9(16)11(12)21/h5,9,11-12H,2-4H2,1H3.
What are the key properties of 6-(2,8-difluoro-7-methylpyrido[4,3-d]pyrimidin-4-yl)-8-fluoro-2-oxa-6-azabicyclo[5.1.0]octane?
6-(2,8-difluoro-7-methylpyrido[4,3-d]pyrimidin-4-yl)-8-fluoro-2-oxa-6-azabicyclo[5.1.0]octane has a molecular weight of 310.28 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,8-difluoro-7-methylpyrido[4,3-d]pyrimidin-4-yl)-8-fluoro-2-oxa-6-azabicyclo[5.1.0]octane is sourced from PubChem (CID 176951754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).