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

C25H25ClN4O — CID 134291899

IUPAC1-[(2-chloro-5-methylphenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-7-carboxamide
SMILESCc1ccc(Cl)c(CN2CCNc3ncc(C(=O)NC4Cc5ccccc5C4)cc32)c1
InChIInChI=1S/C25H25ClN4O/c1-16-6-7-22(26)20(10-16)15-30-9-8-27-24-23(30)13-19(14-28-24)25(31)29-21-11-17-4-2-3-5-18(17)12-21/h2-7,10,13-14,21H,8-9,11-12,15H2,1H3,(H,27,28)(H,29,31)
InChIKeyBLBXTYAHMXOPAD-UHFFFAOYSA-N
MW432.96 g/mol
LogP4.37
Rot. Bonds4

About 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

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 (PubChem CID 134291899) has the molecular formula C25H25ClN4O and a molecular weight of 432.96 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[(2-chloro-5-methylphenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-7-carboxamide
PubChem CID134291899
Molecular FormulaC25H25ClN4O
Molecular Weight432.96 g/mol
Exact Mass432.17
IUPAC Name1-[(2-chloro-5-methylphenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-7-carboxamide
SMILESCc1ccc(Cl)c(CN2CCNc3ncc(C(=O)NC4Cc5ccccc5C4)cc32)c1
InChIInChI=1S/C25H25ClN4O/c1-16-6-7-22(26)20(10-16)15-30-9-8-27-24-23(30)13-19(14-28-24)25(31)29-21-11-17-4-2-3-5-18(17)12-21/h2-7,10,13-14,21H,8-9,11-12,15H2,1H3,(H,27,28)(H,29,31)
InChIKeyBLBXTYAHMXOPAD-UHFFFAOYSA-N
XLogP4.37
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.96
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(Cl)c(CN2CCNc3ncc(C(=O)NC4Cc5ccccc5C4)cc32)c1.
What is the InChIKey of 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?
The InChIKey is BLBXTYAHMXOPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O/c1-16-6-7-22(26)20(10-16)15-30-9-8-27-24-23(30)13-19(14-28-24)25(31)29-21-11-17-4-2-3-5-18(17)12-21/h2-7,10,13-14,21H,8-9,11-12,15H2,1H3,(H,27,28)(H,29,31).
What are the key properties of 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?
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 has a molecular weight of 432.96 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134291899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).