1-[(2,5-dichlorophenyl)methyl]-N-phenyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-7-carboxamide

C21H18Cl2N4O — CID 67091684

IUPAC1-[(2,5-dichlorophenyl)methyl]-N-phenyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-7-carboxamide
SMILESO=C(Nc1ccccc1)c1cnc2c(c1)N(Cc1cc(Cl)ccc1Cl)CCN2
InChIInChI=1S/C21H18Cl2N4O/c22-16-6-7-18(23)15(10-16)13-27-9-8-24-20-19(27)11-14(12-25-20)21(28)26-17-4-2-1-3-5-17/h1-7,10-12H,8-9,13H2,(H,24,25)(H,26,28)
InChIKeyHVBLNSCICVGUFP-UHFFFAOYSA-N
MW413.31 g/mol
LogP5.07
Rot. Bonds4

About 1-[(2,5-dichlorophenyl)methyl]-N-phenyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-7-carboxamide

1-[(2,5-dichlorophenyl)methyl]-N-phenyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-7-carboxamide (PubChem CID 67091684) has the molecular formula C21H18Cl2N4O and a molecular weight of 413.31 g/mol. Its IUPAC name is 1-[(2,5-dichlorophenyl)methyl]-N-phenyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name1-[(2,5-dichlorophenyl)methyl]-N-phenyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-7-carboxamide
PubChem CID67091684
Molecular FormulaC21H18Cl2N4O
Molecular Weight413.31 g/mol
Exact Mass412.09
IUPAC Name1-[(2,5-dichlorophenyl)methyl]-N-phenyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-7-carboxamide
SMILESO=C(Nc1ccccc1)c1cnc2c(c1)N(Cc1cc(Cl)ccc1Cl)CCN2
InChIInChI=1S/C21H18Cl2N4O/c22-16-6-7-18(23)15(10-16)13-27-9-8-24-20-19(27)11-14(12-25-20)21(28)26-17-4-2-1-3-5-17/h1-7,10-12H,8-9,13H2,(H,24,25)(H,26,28)
InChIKeyHVBLNSCICVGUFP-UHFFFAOYSA-N
XLogP5.07
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.31
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2,5-dichlorophenyl)methyl]-N-phenyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-chloro-5-methylphenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-7-carboxamide
CID 134291899
1-[4-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-7-carbonyl]piperazin-1-yl]ethanone;2-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzoic acid
CID 67091900
2-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzoic acid;oxolane-2-carboxamide
CID 67091761
4-[(2,5-dichlorophenyl)methyl]-2,3-dihydro-1H-quinoxaline
CID 65317921
4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 58327890
N-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 67092230
2-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 67092229
1-benzyl-7-phenyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine
CID 141188188
[4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-(4-phenylpiperidin-1-yl)methanone
CID 58327864
[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 58327946
3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-[(2E,4E)-2-methyl-5-(trifluoromethoxy)hexa-2,4-dienyl]benzamide
CID 134291964
2-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-(naphthalen-1-ylmethyl)benzamide
CID 67091756

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dichlorophenyl)methyl]-N-phenyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 1-[(2,5-dichlorophenyl)methyl]-N-phenyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-7-carboxamide (CID 67091684) is 1-[(2,5-dichlorophenyl)methyl]-N-phenyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 1-[(2,5-dichlorophenyl)methyl]-N-phenyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 1-[(2,5-dichlorophenyl)methyl]-N-phenyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-7-carboxamide is O=C(Nc1ccccc1)c1cnc2c(c1)N(Cc1cc(Cl)ccc1Cl)CCN2.
What is the InChIKey of 1-[(2,5-dichlorophenyl)methyl]-N-phenyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-7-carboxamide?
The InChIKey is HVBLNSCICVGUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N4O/c22-16-6-7-18(23)15(10-16)13-27-9-8-24-20-19(27)11-14(12-25-20)21(28)26-17-4-2-1-3-5-17/h1-7,10-12H,8-9,13H2,(H,24,25)(H,26,28).
What are the key properties of 1-[(2,5-dichlorophenyl)methyl]-N-phenyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-7-carboxamide?
1-[(2,5-dichlorophenyl)methyl]-N-phenyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-7-carboxamide has a molecular weight of 413.31 g/mol, XLogP of 5.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dichlorophenyl)methyl]-N-phenyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 67091684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).