N-(3-acetamido-4-fluorophenyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide

C23H22FN5O2 — CID 24656121

IUPACN-(3-acetamido-4-fluorophenyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide
SMILESCC(=O)Nc1cc(NC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)ccc1F
InChIInChI=1S/C23H22FN5O2/c1-13-17(14(2)29-23(25-13)18-6-4-5-7-20(18)28-29)9-11-22(31)27-16-8-10-19(24)21(12-16)26-15(3)30/h4-8,10,12H,9,11H2,1-3H3,(H,26,30)(H,27,31)
InChIKeyXEGUMISFKZULPT-UHFFFAOYSA-N
MW419.46 g/mol
LogP4.17
Rot. Bonds5

About N-(3-acetamido-4-fluorophenyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide

N-(3-acetamido-4-fluorophenyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide (PubChem CID 24656121) has the molecular formula C23H22FN5O2 and a molecular weight of 419.46 g/mol. Its IUPAC name is N-(3-acetamido-4-fluorophenyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-acetamido-4-fluorophenyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide
PubChem CID24656121
Molecular FormulaC23H22FN5O2
Molecular Weight419.46 g/mol
Exact Mass419.18
IUPAC NameN-(3-acetamido-4-fluorophenyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide
SMILESCC(=O)Nc1cc(NC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)ccc1F
InChIInChI=1S/C23H22FN5O2/c1-13-17(14(2)29-23(25-13)18-6-4-5-7-20(18)28-29)9-11-22(31)27-16-8-10-19(24)21(12-16)26-15(3)30/h4-8,10,12H,9,11H2,1-3H3,(H,26,30)(H,27,31)
InChIKeyXEGUMISFKZULPT-UHFFFAOYSA-N
XLogP4.17
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamido-3-chlorophenyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide
CID 41305553
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(4-methoxyphenyl)propanamide
CID 17480071
N'-acetyl-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanehydrazide
CID 43067931
N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide
CID 46530055
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(4-methoxy-3-sulfamoylphenyl)propanamide
CID 24583642
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(4-morpholin-4-ylphenyl)propanamide
CID 41337104
N-cyclopropyl-4-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoylamino]benzamide
CID 24587179
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
CID 24618252
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 55817343
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 17468095
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 29370690
N-[4-[3-(dimethylamino)propoxy]phenyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide
CID 86898251

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-fluorophenyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide?
The IUPAC name of N-(3-acetamido-4-fluorophenyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide (CID 24656121) is N-(3-acetamido-4-fluorophenyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide.
What is the SMILES notation for N-(3-acetamido-4-fluorophenyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide?
The canonical SMILES for N-(3-acetamido-4-fluorophenyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide is CC(=O)Nc1cc(NC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)ccc1F.
What is the InChIKey of N-(3-acetamido-4-fluorophenyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide?
The InChIKey is XEGUMISFKZULPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2/c1-13-17(14(2)29-23(25-13)18-6-4-5-7-20(18)28-29)9-11-22(31)27-16-8-10-19(24)21(12-16)26-15(3)30/h4-8,10,12H,9,11H2,1-3H3,(H,26,30)(H,27,31).
What are the key properties of N-(3-acetamido-4-fluorophenyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide?
N-(3-acetamido-4-fluorophenyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide has a molecular weight of 419.46 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-fluorophenyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide is sourced from PubChem (CID 24656121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).