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

C21H19FN4O2 — CID 5083540

IUPACN-(4-fluoro-2-methylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide
SMILESCc1cc(F)ccc1NC(=O)C(C)n1c2ccccc2c2nc(=O)cc(C)n21
InChIInChI=1S/C21H19FN4O2/c1-12-10-15(22)8-9-17(12)23-21(28)14(3)26-18-7-5-4-6-16(18)20-24-19(27)11-13(2)25(20)26/h4-11,14H,1-3H3,(H,23,28)
InChIKeyMVDBRRVFPAGCNS-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.60
Rot. Bonds3

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

N-(4-fluoro-2-methylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide (PubChem CID 5083540) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide
PubChem CID5083540
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC NameN-(4-fluoro-2-methylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide
SMILESCc1cc(F)ccc1NC(=O)C(C)n1c2ccccc2c2nc(=O)cc(C)n21
InChIInChI=1S/C21H19FN4O2/c1-12-10-15(22)8-9-17(12)23-21(28)14(3)26-18-7-5-4-6-16(18)20-24-19(27)11-13(2)25(20)26/h4-11,14H,1-3H3,(H,23,28)
InChIKeyMVDBRRVFPAGCNS-UHFFFAOYSA-N
XLogP3.60
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-9-yl]-N-methylacetamide
CID 56595162
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-(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
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
N-(4-acetylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)acetamide
CID 3709738
N-cyclohexyl-2-{4-methyl-2-oxo-2H,6H-pyrimido[1,2-b]indazol-6-yl}acetamide
CID 5072344

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide (CID 5083540) is N-(4-fluoro-2-methylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide is Cc1cc(F)ccc1NC(=O)C(C)n1c2ccccc2c2nc(=O)cc(C)n21.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide?
The InChIKey is MVDBRRVFPAGCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-12-10-15(22)8-9-17(12)23-21(28)14(3)26-18-7-5-4-6-16(18)20-24-19(27)11-13(2)25(20)26/h4-11,14H,1-3H3,(H,23,28).
What are the key properties of N-(4-fluoro-2-methylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide?
N-(4-fluoro-2-methylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide has a molecular weight of 378.41 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide is sourced from PubChem (CID 5083540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).