4-(4-fluoro-1,2-dimethylindol-5-yl)oxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

C17H17FN4O — CID 129044979

IUPAC4-(4-fluoro-1,2-dimethylindol-5-yl)oxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCc1cc2c(F)c(Oc3ncnc4c3CCNC4)ccc2n1C
InChIInChI=1S/C17H17FN4O/c1-10-7-12-14(22(10)2)3-4-15(16(12)18)23-17-11-5-6-19-8-13(11)20-9-21-17/h3-4,7,9,19H,5-6,8H2,1-2H3
InChIKeyDUKJKXYTXOBMCZ-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.85
Rot. Bonds2

About 4-(4-fluoro-1,2-dimethylindol-5-yl)oxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

4-(4-fluoro-1,2-dimethylindol-5-yl)oxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 129044979) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 4-(4-fluoro-1,2-dimethylindol-5-yl)oxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-(4-fluoro-1,2-dimethylindol-5-yl)oxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID129044979
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name4-(4-fluoro-1,2-dimethylindol-5-yl)oxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCc1cc2c(F)c(Oc3ncnc4c3CCNC4)ccc2n1C
InChIInChI=1S/C17H17FN4O/c1-10-7-12-14(22(10)2)3-4-15(16(12)18)23-17-11-5-6-19-8-13(11)20-9-21-17/h3-4,7,9,19H,5-6,8H2,1-2H3
InChIKeyDUKJKXYTXOBMCZ-UHFFFAOYSA-N
XLogP2.85
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-1,2-dimethylindol-5-yl)oxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 4-(4-fluoro-1,2-dimethylindol-5-yl)oxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 129044979) is 4-(4-fluoro-1,2-dimethylindol-5-yl)oxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-(4-fluoro-1,2-dimethylindol-5-yl)oxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-(4-fluoro-1,2-dimethylindol-5-yl)oxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is Cc1cc2c(F)c(Oc3ncnc4c3CCNC4)ccc2n1C.
What is the InChIKey of 4-(4-fluoro-1,2-dimethylindol-5-yl)oxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is DUKJKXYTXOBMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-10-7-12-14(22(10)2)3-4-15(16(12)18)23-17-11-5-6-19-8-13(11)20-9-21-17/h3-4,7,9,19H,5-6,8H2,1-2H3.
What are the key properties of 4-(4-fluoro-1,2-dimethylindol-5-yl)oxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
4-(4-fluoro-1,2-dimethylindol-5-yl)oxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 312.35 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-1,2-dimethylindol-5-yl)oxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 129044979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).