2-(1-benzylindazol-6-yl)oxy-3H-pyrido[3,4-d]pyrimidin-4-one

C21H15N5O2 — CID 137002388

IUPAC2-(1-benzylindazol-6-yl)oxy-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(Oc2ccc3cnn(Cc4ccccc4)c3c2)nc2cnccc12
InChIInChI=1S/C21H15N5O2/c27-20-17-8-9-22-12-18(17)24-21(25-20)28-16-7-6-15-11-23-26(19(15)10-16)13-14-4-2-1-3-5-14/h1-12H,13H2,(H,24,25,27)
InChIKeyWCSLCBLWILXJIQ-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.51
Rot. Bonds4

About 2-(1-benzylindazol-6-yl)oxy-3H-pyrido[3,4-d]pyrimidin-4-one

2-(1-benzylindazol-6-yl)oxy-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 137002388) has the molecular formula C21H15N5O2 and a molecular weight of 369.38 g/mol. Its IUPAC name is 2-(1-benzylindazol-6-yl)oxy-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-benzylindazol-6-yl)oxy-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID137002388
Molecular FormulaC21H15N5O2
Molecular Weight369.38 g/mol
Exact Mass369.12
IUPAC Name2-(1-benzylindazol-6-yl)oxy-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(Oc2ccc3cnn(Cc4ccccc4)c3c2)nc2cnccc12
InChIInChI=1S/C21H15N5O2/c27-20-17-8-9-22-12-18(17)24-21(25-20)28-16-7-6-15-11-23-26(19(15)10-16)13-14-4-2-1-3-5-14/h1-12H,13H2,(H,24,25,27)
InChIKeyWCSLCBLWILXJIQ-UHFFFAOYSA-N
XLogP3.51
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylindazol-6-yl)oxy-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(1-benzylindazol-6-yl)oxy-3H-pyrido[3,4-d]pyrimidin-4-one (CID 137002388) is 2-(1-benzylindazol-6-yl)oxy-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-benzylindazol-6-yl)oxy-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(1-benzylindazol-6-yl)oxy-3H-pyrido[3,4-d]pyrimidin-4-one is O=c1[nH]c(Oc2ccc3cnn(Cc4ccccc4)c3c2)nc2cnccc12.
What is the InChIKey of 2-(1-benzylindazol-6-yl)oxy-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is WCSLCBLWILXJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O2/c27-20-17-8-9-22-12-18(17)24-21(25-20)28-16-7-6-15-11-23-26(19(15)10-16)13-14-4-2-1-3-5-14/h1-12H,13H2,(H,24,25,27).
What are the key properties of 2-(1-benzylindazol-6-yl)oxy-3H-pyrido[3,4-d]pyrimidin-4-one?
2-(1-benzylindazol-6-yl)oxy-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 369.38 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylindazol-6-yl)oxy-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 137002388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).