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

C19H25N5O2 — CID 3249108

IUPACN-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
SMILESCCN(CC)CCNC(=O)Cn1c2ccccc2c2nc(=O)cc(C)n21
InChIInChI=1S/C19H25N5O2/c1-4-22(5-2)11-10-20-18(26)13-23-16-9-7-6-8-15(16)19-21-17(25)12-14(3)24(19)23/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,20,26)
InChIKeyHSENBNAGWFWLTK-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.42
Rot. Bonds7

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

N-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide (PubChem CID 3249108) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
PubChem CID3249108
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
SMILESCCN(CC)CCNC(=O)Cn1c2ccccc2c2nc(=O)cc(C)n21
InChIInChI=1S/C19H25N5O2/c1-4-22(5-2)11-10-20-18(26)13-23-16-9-7-6-8-15(16)19-21-17(25)12-14(3)24(19)23/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,20,26)
InChIKeyHSENBNAGWFWLTK-UHFFFAOYSA-N
XLogP1.42
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)acetate
CID 6618875
N-[(4-fluorophenyl)methyl]-3-hydroxy-6-methyl-4-oxo-pyrimido[1,2-b]indazole-2-carboxamide
CID 54729455
2-[4-Methyl-2-oxopyrimido[1,2-B]indazol-6(2H)-YL]-N-(3-morpholinopropyl)acetamide
CID 3249111
2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N,N-dipropylacetamide
CID 4106305
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 4880627
N-(4-acetylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)propanamide
CID 5075291
N-(2,5-difluorophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)propanamide
CID 5083532
N-(4-fluoro-2-methylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)propanamide
CID 5083540
1-(1-Methyl-2-oxo-5-pyrrolidin-1-yl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolyl-urea
CID 10453063
4-Methyl-6-(1-morpholin-4-yl-1-oxobutan-2-yl)pyrimido[1,2-b]indazol-2-one
CID 22511465
2-{4-Methyl-2-oxo-2H,6H-pyrimido[1,2-B]indazol-6-YL}-N-[3-(morpholin-4-YL)propyl]butanamide
CID 22511505
2-(4-methyl-2-oxo-6-pyrimido[1,2-b]indazolyl)-N-[2-(4-morpholinyl)ethyl]butanamide
CID 22511532

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide (CID 3249108) is N-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide is CCN(CC)CCNC(=O)Cn1c2ccccc2c2nc(=O)cc(C)n21.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide?
The InChIKey is HSENBNAGWFWLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-4-22(5-2)11-10-20-18(26)13-23-16-9-7-6-8-15(16)19-21-17(25)12-14(3)24(19)23/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,20,26).
What are the key properties of N-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide?
N-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide has a molecular weight of 355.44 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide is sourced from PubChem (CID 3249108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).