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

C19H22N4O2 — CID 5072344

IUPACN-cyclohexyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
SMILESCc1cc(=O)nc2c3ccccc3n(CC(=O)NC3CCCCC3)n12
InChIInChI=1S/C19H22N4O2/c1-13-11-17(24)21-19-15-9-5-6-10-16(15)22(23(13)19)12-18(25)20-14-7-3-2-4-8-14/h5-6,9-11,14H,2-4,7-8,12H2,1H3,(H,20,25)
InChIKeyRSTHSESLYRTHSG-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.41
Rot. Bonds3

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

N-cyclohexyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide (PubChem CID 5072344) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
PubChem CID5072344
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-cyclohexyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
SMILESCc1cc(=O)nc2c3ccccc3n(CC(=O)NC3CCCCC3)n12
InChIInChI=1S/C19H22N4O2/c1-13-11-17(24)21-19-15-9-5-6-10-16(15)22(23(13)19)12-18(25)20-14-7-3-2-4-8-14/h5-6,9-11,14H,2-4,7-8,12H2,1H3,(H,20,25)
InChIKeyRSTHSESLYRTHSG-UHFFFAOYSA-N
XLogP2.41
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-(3-methylbutyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)propanamide
CID 3453492

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide (CID 5072344) is N-cyclohexyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide is Cc1cc(=O)nc2c3ccccc3n(CC(=O)NC3CCCCC3)n12.
What is the InChIKey of N-cyclohexyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide?
The InChIKey is RSTHSESLYRTHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13-11-17(24)21-19-15-9-5-6-10-16(15)22(23(13)19)12-18(25)20-14-7-3-2-4-8-14/h5-6,9-11,14H,2-4,7-8,12H2,1H3,(H,20,25).
What are the key properties of N-cyclohexyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide?
N-cyclohexyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide has a molecular weight of 338.41 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide is sourced from PubChem (CID 5072344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).