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

C21H18N4O3 — CID 3709738

IUPACN-(4-acetylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)Cn2c3ccccc3c3nc(=O)cc(C)n32)cc1
InChIInChI=1S/C21H18N4O3/c1-13-11-19(27)23-21-17-5-3-4-6-18(17)24(25(13)21)12-20(28)22-16-9-7-15(8-10-16)14(2)26/h3-11H,12H2,1-2H3,(H,22,28)
InChIKeyZKZYEZYPPJKNDU-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.80
Rot. Bonds4

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

N-(4-acetylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide (PubChem CID 3709738) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
PubChem CID3709738
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC NameN-(4-acetylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)Cn2c3ccccc3c3nc(=O)cc(C)n32)cc1
InChIInChI=1S/C21H18N4O3/c1-13-11-19(27)23-21-17-5-3-4-6-18(17)24(25(13)21)12-20(28)22-16-9-7-15(8-10-16)14(2)26/h3-11H,12H2,1-2H3,(H,22,28)
InChIKeyZKZYEZYPPJKNDU-UHFFFAOYSA-N
XLogP2.80
TPSA85.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-[5-carbamimidamido-1-oxo-1-(4-oxo-3,4-dihydroquinazolin-2-yl)pentan-2-yl]-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide
CID 135559080
3-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-1H-indol-2-one
CID 135437122
8-Fluoro-2-[(4-methylpiperazin-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione
CID 91758737
2-[(4-Methylpiperazin-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione
CID 122525709
2-[(Dimethylamino)methyl]-8-fluoroindolo[2,1-b]quinazoline-6,12-dione
CID 122525711
8-Fluoro-2-(piperazin-1-ylmethyl)indolo[2,1-b]quinazoline-6,12-dione
CID 122525712
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
2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-[(3-oxo-1,2-dihydroindazol-5-yl)methyl]acetamide
CID 44330756
2-[(2-oxo-1-propyl-1,2-dihydro-3H-indol-3-ylidene)methyl]-4(3H)-quinazolinone
CID 135401458
(2S)-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(4-oxo-3H-quinazolin-2-yl)pentan-2-yl]-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide
CID 135506896

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide (CID 3709738) is N-(4-acetylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide is CC(=O)c1ccc(NC(=O)Cn2c3ccccc3c3nc(=O)cc(C)n32)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide?
The InChIKey is ZKZYEZYPPJKNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-13-11-19(27)23-21-17-5-3-4-6-18(17)24(25(13)21)12-20(28)22-16-9-7-15(8-10-16)14(2)26/h3-11H,12H2,1-2H3,(H,22,28).
What are the key properties of N-(4-acetylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide?
N-(4-acetylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide has a molecular weight of 374.40 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide is sourced from PubChem (CID 3709738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).