3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)-1,3-oxazinan-2-one

C19H21N5O3 — CID 137053877

IUPAC3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)-1,3-oxazinan-2-one
SMILESO=C1OCCCN1c1cccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12
InChIInChI=1S/C19H21N5O3/c25-16-11-15(12-5-7-20-8-6-12)24-18(21-16)17-13(22-24)3-1-4-14(17)23-9-2-10-27-19(23)26/h1,3-4,11-12,20H,2,5-10H2,(H,21,25)
InChIKeyBHWAYFADEYCWHE-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.99
Rot. Bonds2

About 3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)-1,3-oxazinan-2-one

3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)-1,3-oxazinan-2-one (PubChem CID 137053877) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)-1,3-oxazinan-2-one
PubChem CID137053877
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)-1,3-oxazinan-2-one
SMILESO=C1OCCCN1c1cccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12
InChIInChI=1S/C19H21N5O3/c25-16-11-15(12-5-7-20-8-6-12)24-18(21-16)17-13(22-24)3-1-4-14(17)23-9-2-10-27-19(23)26/h1,3-4,11-12,20H,2,5-10H2,(H,21,25)
InChIKeyBHWAYFADEYCWHE-UHFFFAOYSA-N
XLogP1.99
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)-1,3-oxazinan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)-1,3-oxazinan-2-one?
The IUPAC name of 3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)-1,3-oxazinan-2-one (CID 137053877) is 3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)-1,3-oxazinan-2-one.
What is the SMILES notation for 3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)-1,3-oxazinan-2-one?
The canonical SMILES for 3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)-1,3-oxazinan-2-one is O=C1OCCCN1c1cccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12.
What is the InChIKey of 3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)-1,3-oxazinan-2-one?
The InChIKey is BHWAYFADEYCWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c25-16-11-15(12-5-7-20-8-6-12)24-18(21-16)17-13(22-24)3-1-4-14(17)23-9-2-10-27-19(23)26/h1,3-4,11-12,20H,2,5-10H2,(H,21,25).
What are the key properties of 3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)-1,3-oxazinan-2-one?
3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)-1,3-oxazinan-2-one has a molecular weight of 367.41 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)-1,3-oxazinan-2-one is sourced from PubChem (CID 137053877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).