2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one

C19H17N5O2 — CID 91890105

IUPAC2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one
SMILESO=c1c2c3c(nn2ccn1Cc1cc(=O)n2ccccc2n1)CCCC3
InChIInChI=1S/C19H17N5O2/c25-17-11-13(20-16-7-3-4-8-23(16)17)12-22-9-10-24-18(19(22)26)14-5-1-2-6-15(14)21-24/h3-4,7-11H,1-2,5-6,12H2
InChIKeyZYMGCWSFGKJAHJ-UHFFFAOYSA-N
MW347.38 g/mol
LogP1.43
Rot. Bonds2

About 2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one

2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one (PubChem CID 91890105) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one.

Molecular Properties

Compound Name2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one
PubChem CID91890105
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one
SMILESO=c1c2c3c(nn2ccn1Cc1cc(=O)n2ccccc2n1)CCCC3
InChIInChI=1S/C19H17N5O2/c25-17-11-13(20-16-7-3-4-8-23(16)17)12-22-9-10-24-18(19(22)26)14-5-1-2-6-15(14)21-24/h3-4,7-11H,1-2,5-6,12H2
InChIKeyZYMGCWSFGKJAHJ-UHFFFAOYSA-N
XLogP1.43
TPSA73.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one?
The IUPAC name of 2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one (CID 91890105) is 2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one.
What is the SMILES notation for 2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one?
The canonical SMILES for 2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one is O=c1c2c3c(nn2ccn1Cc1cc(=O)n2ccccc2n1)CCCC3.
What is the InChIKey of 2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one?
The InChIKey is ZYMGCWSFGKJAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c25-17-11-13(20-16-7-3-4-8-23(16)17)12-22-9-10-24-18(19(22)26)14-5-1-2-6-15(14)21-24/h3-4,7-11H,1-2,5-6,12H2.
What are the key properties of 2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one?
2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one has a molecular weight of 347.38 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one is sourced from PubChem (CID 91890105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).