1-(3-anilino-6-methylpyrido[2,3-b]pyrazin-7-yl)-3-(2-chloro-4-methylphenyl)propan-2-one

C24H21ClN4O — CID 159744327

IUPAC1-(3-anilino-6-methylpyrido[2,3-b]pyrazin-7-yl)-3-(2-chloro-4-methylphenyl)propan-2-one
SMILESCc1ccc(CC(=O)Cc2cc3ncc(Nc4ccccc4)nc3nc2C)c(Cl)c1
InChIInChI=1S/C24H21ClN4O/c1-15-8-9-17(21(25)10-15)11-20(30)12-18-13-22-24(27-16(18)2)29-23(14-26-22)28-19-6-4-3-5-7-19/h3-10,13-14H,11-12H2,1-2H3,(H,27,28,29)
InChIKeyNCVUXBFVMMVITE-UHFFFAOYSA-N
MW416.91 g/mol
LogP5.39
Rot. Bonds6

About 1-(3-anilino-6-methylpyrido[2,3-b]pyrazin-7-yl)-3-(2-chloro-4-methylphenyl)propan-2-one

1-(3-anilino-6-methylpyrido[2,3-b]pyrazin-7-yl)-3-(2-chloro-4-methylphenyl)propan-2-one (PubChem CID 159744327) has the molecular formula C24H21ClN4O and a molecular weight of 416.91 g/mol. Its IUPAC name is 1-(3-anilino-6-methylpyrido[2,3-b]pyrazin-7-yl)-3-(2-chloro-4-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(3-anilino-6-methylpyrido[2,3-b]pyrazin-7-yl)-3-(2-chloro-4-methylphenyl)propan-2-one
PubChem CID159744327
Molecular FormulaC24H21ClN4O
Molecular Weight416.91 g/mol
Exact Mass416.14
IUPAC Name1-(3-anilino-6-methylpyrido[2,3-b]pyrazin-7-yl)-3-(2-chloro-4-methylphenyl)propan-2-one
SMILESCc1ccc(CC(=O)Cc2cc3ncc(Nc4ccccc4)nc3nc2C)c(Cl)c1
InChIInChI=1S/C24H21ClN4O/c1-15-8-9-17(21(25)10-15)11-20(30)12-18-13-22-24(27-16(18)2)29-23(14-26-22)28-19-6-4-3-5-7-19/h3-10,13-14H,11-12H2,1-2H3,(H,27,28,29)
InChIKeyNCVUXBFVMMVITE-UHFFFAOYSA-N
XLogP5.39
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.91
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-7-nitro-N-phenylpyrido[2,3-b]pyrazin-3-amine
CID 137368065
ethyl 4-[[7-[3-(4-fluoro-3-methylphenyl)-2-oxopropyl]-6-methylpyrido[2,3-b]pyrazin-3-yl]amino]benzoate
CID 159360645
1-(2-chloro-4-methylphenyl)-3-phenoxypropan-2-one
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CID 160520769
CID 160520769
1-[3-(3,5-dimethylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
CID 58881935
ethyl 4-[[6-methyl-7-[[3-(trifluoromethyl)phenyl]carbamoylamino]pyrido[2,3-b]pyrazin-3-yl]amino]benzoate
CID 142507185
1-(2-chloro-4-methylphenyl)-3-(propan-2-ylamino)propan-2-one
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N-phenylbenzo[g]quinoxalin-3-amine
CID 5273861
2-[3-[[3-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-6-yl]amino]phenyl]acetic acid
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1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-one
CID 106865364
5-(4-methylanilino)-N-phenylpyrazine-2-carboxamide
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1-(2-chloro-4-methylphenyl)heptan-2-one
CID 106865600

Frequently Asked Questions

What is the IUPAC name of 1-(3-anilino-6-methylpyrido[2,3-b]pyrazin-7-yl)-3-(2-chloro-4-methylphenyl)propan-2-one?
The IUPAC name of 1-(3-anilino-6-methylpyrido[2,3-b]pyrazin-7-yl)-3-(2-chloro-4-methylphenyl)propan-2-one (CID 159744327) is 1-(3-anilino-6-methylpyrido[2,3-b]pyrazin-7-yl)-3-(2-chloro-4-methylphenyl)propan-2-one.
What is the SMILES notation for 1-(3-anilino-6-methylpyrido[2,3-b]pyrazin-7-yl)-3-(2-chloro-4-methylphenyl)propan-2-one?
The canonical SMILES for 1-(3-anilino-6-methylpyrido[2,3-b]pyrazin-7-yl)-3-(2-chloro-4-methylphenyl)propan-2-one is Cc1ccc(CC(=O)Cc2cc3ncc(Nc4ccccc4)nc3nc2C)c(Cl)c1.
What is the InChIKey of 1-(3-anilino-6-methylpyrido[2,3-b]pyrazin-7-yl)-3-(2-chloro-4-methylphenyl)propan-2-one?
The InChIKey is NCVUXBFVMMVITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O/c1-15-8-9-17(21(25)10-15)11-20(30)12-18-13-22-24(27-16(18)2)29-23(14-26-22)28-19-6-4-3-5-7-19/h3-10,13-14H,11-12H2,1-2H3,(H,27,28,29).
What are the key properties of 1-(3-anilino-6-methylpyrido[2,3-b]pyrazin-7-yl)-3-(2-chloro-4-methylphenyl)propan-2-one?
1-(3-anilino-6-methylpyrido[2,3-b]pyrazin-7-yl)-3-(2-chloro-4-methylphenyl)propan-2-one has a molecular weight of 416.91 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-anilino-6-methylpyrido[2,3-b]pyrazin-7-yl)-3-(2-chloro-4-methylphenyl)propan-2-one is sourced from PubChem (CID 159744327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).