N-(2,5-difluorophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide

C20H16F2N4O2 — CID 5083532

IUPACN-(2,5-difluorophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide
SMILESCc1cc(=O)nc2c3ccccc3n(C(C)C(=O)Nc3cc(F)ccc3F)n12
InChIInChI=1S/C20H16F2N4O2/c1-11-9-18(27)24-19-14-5-3-4-6-17(14)26(25(11)19)12(2)20(28)23-16-10-13(21)7-8-15(16)22/h3-10,12H,1-2H3,(H,23,28)
InChIKeyKDTBYMBKTKPLJR-UHFFFAOYSA-N
MW382.37 g/mol
LogP3.44
Rot. Bonds3

About N-(2,5-difluorophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide

N-(2,5-difluorophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide (PubChem CID 5083532) has the molecular formula C20H16F2N4O2 and a molecular weight of 382.37 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide
PubChem CID5083532
Molecular FormulaC20H16F2N4O2
Molecular Weight382.37 g/mol
Exact Mass382.12
IUPAC NameN-(2,5-difluorophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide
SMILESCc1cc(=O)nc2c3ccccc3n(C(C)C(=O)Nc3cc(F)ccc3F)n12
InChIInChI=1S/C20H16F2N4O2/c1-11-9-18(27)24-19-14-5-3-4-6-17(14)26(25(11)19)12(2)20(28)23-16-10-13(21)7-8-15(16)22/h3-10,12H,1-2H3,(H,23,28)
InChIKeyKDTBYMBKTKPLJR-UHFFFAOYSA-N
XLogP3.44
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.44
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-(4-fluoro-2-methylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)propanamide
CID 5083540
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-(2,5-difluorophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide (CID 5083532) is N-(2,5-difluorophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide is Cc1cc(=O)nc2c3ccccc3n(C(C)C(=O)Nc3cc(F)ccc3F)n12.
What is the InChIKey of N-(2,5-difluorophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide?
The InChIKey is KDTBYMBKTKPLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O2/c1-11-9-18(27)24-19-14-5-3-4-6-17(14)26(25(11)19)12(2)20(28)23-16-10-13(21)7-8-15(16)22/h3-10,12H,1-2H3,(H,23,28).
What are the key properties of N-(2,5-difluorophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide?
N-(2,5-difluorophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide has a molecular weight of 382.37 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide is sourced from PubChem (CID 5083532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).