4-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimido[1,2-b]indazol-2-one

C17H18N4O2 — CID 6623234

IUPAC4-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimido[1,2-b]indazol-2-one
SMILESCc1cc(=O)nc2c3ccccc3n(CC(=O)N3CCCC3)n12
InChIInChI=1S/C17H18N4O2/c1-12-10-15(22)18-17-13-6-2-3-7-14(13)20(21(12)17)11-16(23)19-8-4-5-9-19/h2-3,6-7,10H,4-5,8-9,11H2,1H3
InChIKeyDSYMWVVYSCQGNC-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.58
Rot. Bonds2

About 4-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimido[1,2-b]indazol-2-one

4-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimido[1,2-b]indazol-2-one (PubChem CID 6623234) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimido[1,2-b]indazol-2-one.

Molecular Properties

Compound Name4-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimido[1,2-b]indazol-2-one
PubChem CID6623234
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name4-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimido[1,2-b]indazol-2-one
SMILESCc1cc(=O)nc2c3ccccc3n(CC(=O)N3CCCC3)n12
InChIInChI=1S/C17H18N4O2/c1-12-10-15(22)18-17-13-6-2-3-7-14(13)20(21(12)17)11-16(23)19-8-4-5-9-19/h2-3,6-7,10H,4-5,8-9,11H2,1H3
InChIKeyDSYMWVVYSCQGNC-UHFFFAOYSA-N
XLogP1.58
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimido[1,2-b]indazol-2-one?
The IUPAC name of 4-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimido[1,2-b]indazol-2-one (CID 6623234) is 4-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimido[1,2-b]indazol-2-one.
What is the SMILES notation for 4-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimido[1,2-b]indazol-2-one?
The canonical SMILES for 4-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimido[1,2-b]indazol-2-one is Cc1cc(=O)nc2c3ccccc3n(CC(=O)N3CCCC3)n12.
What is the InChIKey of 4-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimido[1,2-b]indazol-2-one?
The InChIKey is DSYMWVVYSCQGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-12-10-15(22)18-17-13-6-2-3-7-14(13)20(21(12)17)11-16(23)19-8-4-5-9-19/h2-3,6-7,10H,4-5,8-9,11H2,1H3.
What are the key properties of 4-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimido[1,2-b]indazol-2-one?
4-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimido[1,2-b]indazol-2-one has a molecular weight of 310.36 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimido[1,2-b]indazol-2-one is sourced from PubChem (CID 6623234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).