1-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-4-methylpiperidin-4-ol

C25H24FN9O2 — CID 167318653

IUPAC1-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-4-methylpiperidin-4-ol
SMILESCc1c(Oc2ccn3ncnc3c2)ccc(Nc2ncnc3cnc(N4CCC(C)(O)CC4)nc23)c1F
InChIInChI=1S/C25H24FN9O2/c1-15-19(37-16-5-8-35-20(11-16)29-14-31-35)4-3-17(21(15)26)32-23-22-18(28-13-30-23)12-27-24(33-22)34-9-6-25(2,36)7-10-34/h3-5,8,11-14,36H,6-7,9-10H2,1-2H3,(H,28,30,32)
InChIKeyUIVMOTHVLOJZFY-UHFFFAOYSA-N
MW501.53 g/mol
LogP3.80
Rot. Bonds5

About 1-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-4-methylpiperidin-4-ol

1-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-4-methylpiperidin-4-ol (PubChem CID 167318653) has the molecular formula C25H24FN9O2 and a molecular weight of 501.53 g/mol. Its IUPAC name is 1-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-4-methylpiperidin-4-ol
PubChem CID167318653
Molecular FormulaC25H24FN9O2
Molecular Weight501.53 g/mol
Exact Mass501.20
IUPAC Name1-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-4-methylpiperidin-4-ol
SMILESCc1c(Oc2ccn3ncnc3c2)ccc(Nc2ncnc3cnc(N4CCC(C)(O)CC4)nc23)c1F
InChIInChI=1S/C25H24FN9O2/c1-15-19(37-16-5-8-35-20(11-16)29-14-31-35)4-3-17(21(15)26)32-23-22-18(28-13-30-23)12-27-24(33-22)34-9-6-25(2,36)7-10-34/h3-5,8,11-14,36H,6-7,9-10H2,1-2H3,(H,28,30,32)
InChIKeyUIVMOTHVLOJZFY-UHFFFAOYSA-N
XLogP3.80
TPSA126.48 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.53
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 1-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-4-methylpiperidin-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-4-methylpiperidin-4-ol (CID 167318653) is 1-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-4-methylpiperidin-4-ol is Cc1c(Oc2ccn3ncnc3c2)ccc(Nc2ncnc3cnc(N4CCC(C)(O)CC4)nc23)c1F.
What is the InChIKey of 1-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-4-methylpiperidin-4-ol?
The InChIKey is UIVMOTHVLOJZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN9O2/c1-15-19(37-16-5-8-35-20(11-16)29-14-31-35)4-3-17(21(15)26)32-23-22-18(28-13-30-23)12-27-24(33-22)34-9-6-25(2,36)7-10-34/h3-5,8,11-14,36H,6-7,9-10H2,1-2H3,(H,28,30,32).
What are the key properties of 1-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-4-methylpiperidin-4-ol?
1-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-4-methylpiperidin-4-ol has a molecular weight of 501.53 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 167318653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).