2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-propylpropanamide

C17H20N4O2 — CID 3453487

IUPAC2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(C)n1c2ccccc2c2nc(=O)cc(C)n21
InChIInChI=1S/C17H20N4O2/c1-4-9-18-17(23)12(3)21-14-8-6-5-7-13(14)16-19-15(22)10-11(2)20(16)21/h5-8,10,12H,4,9H2,1-3H3,(H,18,23)
InChIKeyVTKZBOPDWANHDV-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.04
Rot. Bonds4

About 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-propylpropanamide

2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-propylpropanamide (PubChem CID 3453487) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-propylpropanamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-propylpropanamide
PubChem CID3453487
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(C)n1c2ccccc2c2nc(=O)cc(C)n21
InChIInChI=1S/C17H20N4O2/c1-4-9-18-17(23)12(3)21-14-8-6-5-7-13(14)16-19-15(22)10-11(2)20(16)21/h5-8,10,12H,4,9H2,1-3H3,(H,18,23)
InChIKeyVTKZBOPDWANHDV-UHFFFAOYSA-N
XLogP2.04
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(diethylamino)propyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide
CID 5075453
N-(3-methoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide
CID 5083539
(2S)-N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide
CID 92678667
2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 3453529
N-cycloheptyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide
CID 5075450
N-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide
CID 126457281
N-(3-methoxyphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide
CID 5075295
N-(3-ethoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide
CID 22511528
N-[4-(diethylamino)-2-methylphenyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide
CID 22511533
N-(2-bromo-4,6-difluorophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide
CID 22511535
butan-2-yl-cyclohexyl-[2-[[2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetyl]amino]ethyl]azanium
CID 3612648
N-(3-ethoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
CID 3433217

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-propylpropanamide?
The IUPAC name of 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-propylpropanamide (CID 3453487) is 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-propylpropanamide.
What is the SMILES notation for 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-propylpropanamide?
The canonical SMILES for 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-propylpropanamide is CCCNC(=O)C(C)n1c2ccccc2c2nc(=O)cc(C)n21.
What is the InChIKey of 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-propylpropanamide?
The InChIKey is VTKZBOPDWANHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-4-9-18-17(23)12(3)21-14-8-6-5-7-13(14)16-19-15(22)10-11(2)20(16)21/h5-8,10,12H,4,9H2,1-3H3,(H,18,23).
What are the key properties of 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-propylpropanamide?
2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-propylpropanamide has a molecular weight of 312.37 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-propylpropanamide is sourced from PubChem (CID 3453487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).