2-[4-[[4-(6,7-dihydroimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methyl]phenyl]-3-phenylpyrido[2,3-b]pyrazine

C31H29N7 — CID 142817365

IUPAC2-[4-[[4-(6,7-dihydroimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methyl]phenyl]-3-phenylpyrido[2,3-b]pyrazine
SMILESC1=Nc2c(ncn2C2CCN(Cc3ccc(-c4nc5cccnc5nc4-c4ccccc4)cc3)CC2)CC1
InChIInChI=1S/C31H29N7/c1-2-6-23(7-3-1)29-28(35-26-8-4-16-32-30(26)36-29)24-12-10-22(11-13-24)20-37-18-14-25(15-19-37)38-21-34-27-9-5-17-33-31(27)38/h1-4,6-8,10-13,16-17,21,25H,5,9,14-15,18-20H2
InChIKeyMAHODLYSKPMGAS-UHFFFAOYSA-N
MW499.62 g/mol
LogP6.04
Rot. Bonds5

About 2-[4-[[4-(6,7-dihydroimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methyl]phenyl]-3-phenylpyrido[2,3-b]pyrazine

2-[4-[[4-(6,7-dihydroimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methyl]phenyl]-3-phenylpyrido[2,3-b]pyrazine (PubChem CID 142817365) has the molecular formula C31H29N7 and a molecular weight of 499.62 g/mol. Its IUPAC name is 2-[4-[[4-(6,7-dihydroimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methyl]phenyl]-3-phenylpyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name2-[4-[[4-(6,7-dihydroimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methyl]phenyl]-3-phenylpyrido[2,3-b]pyrazine
PubChem CID142817365
Molecular FormulaC31H29N7
Molecular Weight499.62 g/mol
Exact Mass499.25
IUPAC Name2-[4-[[4-(6,7-dihydroimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methyl]phenyl]-3-phenylpyrido[2,3-b]pyrazine
SMILESC1=Nc2c(ncn2C2CCN(Cc3ccc(-c4nc5cccnc5nc4-c4ccccc4)cc3)CC2)CC1
InChIInChI=1S/C31H29N7/c1-2-6-23(7-3-1)29-28(35-26-8-4-16-32-30(26)36-29)24-12-10-22(11-13-24)20-37-18-14-25(15-19-37)38-21-34-27-9-5-17-33-31(27)38/h1-4,6-8,10-13,16-17,21,25H,5,9,14-15,18-20H2
InChIKeyMAHODLYSKPMGAS-UHFFFAOYSA-N
XLogP6.04
TPSA72.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.62
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[4-(6,7-dihydroimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methyl]phenyl]-3-phenylpyrido[2,3-b]pyrazine with MolForge

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Related Compounds

4-[[1-[[4-(3-phenylpyrido[2,3-b]pyrazin-2-yl)phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
CID 177349704
2-phenyl-3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]quinoxaline
CID 10127621
2-(4-bromophenyl)-3-phenylpyrido[2,3-b]pyrazine
CID 142746940
2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline
CID 51049790
3-[4-[[4-[4-(aminomethyl)imidazol-1-yl]piperidin-1-yl]methyl]phenyl]-2-phenylquinoxaline-6-carboxylic acid
CID 142817345
3-phenyl-2-[4-[[4-(5-pyridin-2-yltetrazol-2-yl)piperidin-1-yl]methyl]phenyl]-6H-1,6-naphthyridin-5-one
CID 11607100
3-[4-[(4-indol-1-ylpiperidin-1-yl)methyl]phenyl]-6-(2-methyltetrazol-5-yl)-2-phenylquinoxaline
CID 21103139
3-[1-[[4-(6-phenyl-3-pyridin-4-yl-1,2,4-triazin-5-yl)phenyl]methyl]piperidin-4-yl]-1,2-dihydrobenzimidazole
CID 67109728
2-[[4-[5-(furan-2-yl)-4-phenylimidazol-1-yl]piperidin-1-yl]methyl]pyridine
CID 50966391
2-(1-benzylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridine
CID 141272197
5-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenyl-2H-triazolo[4,5-b]pyridine
CID 11260535
2-[[4-(4-phenylimidazol-1-yl)piperidin-1-yl]methyl]pyrimidine
CID 141298121

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(6,7-dihydroimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methyl]phenyl]-3-phenylpyrido[2,3-b]pyrazine?
The IUPAC name of 2-[4-[[4-(6,7-dihydroimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methyl]phenyl]-3-phenylpyrido[2,3-b]pyrazine (CID 142817365) is 2-[4-[[4-(6,7-dihydroimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methyl]phenyl]-3-phenylpyrido[2,3-b]pyrazine.
What is the SMILES notation for 2-[4-[[4-(6,7-dihydroimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methyl]phenyl]-3-phenylpyrido[2,3-b]pyrazine?
The canonical SMILES for 2-[4-[[4-(6,7-dihydroimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methyl]phenyl]-3-phenylpyrido[2,3-b]pyrazine is C1=Nc2c(ncn2C2CCN(Cc3ccc(-c4nc5cccnc5nc4-c4ccccc4)cc3)CC2)CC1.
What is the InChIKey of 2-[4-[[4-(6,7-dihydroimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methyl]phenyl]-3-phenylpyrido[2,3-b]pyrazine?
The InChIKey is MAHODLYSKPMGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N7/c1-2-6-23(7-3-1)29-28(35-26-8-4-16-32-30(26)36-29)24-12-10-22(11-13-24)20-37-18-14-25(15-19-37)38-21-34-27-9-5-17-33-31(27)38/h1-4,6-8,10-13,16-17,21,25H,5,9,14-15,18-20H2.
What are the key properties of 2-[4-[[4-(6,7-dihydroimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methyl]phenyl]-3-phenylpyrido[2,3-b]pyrazine?
2-[4-[[4-(6,7-dihydroimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methyl]phenyl]-3-phenylpyrido[2,3-b]pyrazine has a molecular weight of 499.62 g/mol, XLogP of 6.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(6,7-dihydroimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methyl]phenyl]-3-phenylpyrido[2,3-b]pyrazine is sourced from PubChem (CID 142817365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).