3-ethyl-8-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-2-N-methylpyrido[3,4-b]pyrazine-2,5-diamine

C27H38N8O — CID 169303865

IUPAC3-ethyl-8-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-2-N-methylpyrido[3,4-b]pyrazine-2,5-diamine
SMILESCCc1nc2c(N)ncc(-c3ccc(N4CCC(N5CCN(C)CC5)CC4)c(OC)c3)c2nc1NC
InChIInChI=1S/C27H38N8O/c1-5-21-27(29-2)32-24-20(17-30-26(28)25(24)31-21)18-6-7-22(23(16-18)36-4)35-10-8-19(9-11-35)34-14-12-33(3)13-15-34/h6-7,16-17,19H,5,8-15H2,1-4H3,(H2,28,30)(H,29,32)
InChIKeyBIFZINMKONRDBS-UHFFFAOYSA-N
MW490.66 g/mol
LogP3.10
Rot. Bonds6

About 3-ethyl-8-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-2-N-methylpyrido[3,4-b]pyrazine-2,5-diamine

3-ethyl-8-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-2-N-methylpyrido[3,4-b]pyrazine-2,5-diamine (PubChem CID 169303865) has the molecular formula C27H38N8O and a molecular weight of 490.66 g/mol. Its IUPAC name is 3-ethyl-8-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-2-N-methylpyrido[3,4-b]pyrazine-2,5-diamine.

Molecular Properties

Compound Name3-ethyl-8-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-2-N-methylpyrido[3,4-b]pyrazine-2,5-diamine
PubChem CID169303865
Molecular FormulaC27H38N8O
Molecular Weight490.66 g/mol
Exact Mass490.32
IUPAC Name3-ethyl-8-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-2-N-methylpyrido[3,4-b]pyrazine-2,5-diamine
SMILESCCc1nc2c(N)ncc(-c3ccc(N4CCC(N5CCN(C)CC5)CC4)c(OC)c3)c2nc1NC
InChIInChI=1S/C27H38N8O/c1-5-21-27(29-2)32-24-20(17-30-26(28)25(24)31-21)18-6-7-22(23(16-18)36-4)35-10-8-19(9-11-35)34-14-12-33(3)13-15-34/h6-7,16-17,19H,5,8-15H2,1-4H3,(H2,28,30)(H,29,32)
InChIKeyBIFZINMKONRDBS-UHFFFAOYSA-N
XLogP3.10
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.66
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

4-[[3-ethyl-8-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-5-(methylamino)pyrido[3,4-b]pyrazin-2-yl]amino]cyclohexan-1-ol
CID 170360627
3-ethyl-8-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-5-N-methyl-2-N-(oxan-4-ylmethyl)pyrido[3,4-b]pyrazine-2,5-diamine
CID 170360657
3-ethyl-8-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)phenyl]-2-N-(oxan-4-yl)pyrido[3,4-b]pyrazine-2,5-diamine
CID 169303927
8-[4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)piperidin-1-yl]-3-methoxyphenyl]-3-ethyl-2-N-(oxan-4-yl)pyrido[3,4-b]pyrazine-2,5-diamine
CID 169303842
3-ethyl-8-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-2-N-(oxan-4-yl)pyrido[3,4-b]pyrazine-2,5-diamine
CID 169303924
cis-(1S,3R)-3-[[5-amino-3-ethyl-8-[3-methoxy-4-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol
CID 169303697
3-ethyl-8-[2-fluoro-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-2-N-(oxan-4-yl)pyrido[3,4-b]pyrazine-2,5-diamine
CID 169303720
2,3-diethyl-N-methyl-8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrido[3,4-b]pyrazin-5-amine
CID 170361109
5-N-[(2,4-dimethoxyphenyl)methyl]-3-ethyl-8-[3-methoxy-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]phenyl]-2-N-(oxan-4-yl)pyrido[3,4-b]pyrazine-2,5-diamine
CID 162718072
6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]methyl]-5-(oxan-4-ylamino)pyrazine-2-carboxamide
CID 157077863
5-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-5-(1-methylpyrazol-4-yl)phenyl]pyrimidine-2,4-diamine
CID 175472470
6-ethyl-3-[[3-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]methyl]-5-(oxan-4-ylamino)pyrazine-2-carboxamide;6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]methyl]-5-(oxan-4-ylamino)pyrazine-2-carboxamide
CID 163487612

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-2-N-methylpyrido[3,4-b]pyrazine-2,5-diamine?
The IUPAC name of 3-ethyl-8-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-2-N-methylpyrido[3,4-b]pyrazine-2,5-diamine (CID 169303865) is 3-ethyl-8-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-2-N-methylpyrido[3,4-b]pyrazine-2,5-diamine.
What is the SMILES notation for 3-ethyl-8-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-2-N-methylpyrido[3,4-b]pyrazine-2,5-diamine?
The canonical SMILES for 3-ethyl-8-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-2-N-methylpyrido[3,4-b]pyrazine-2,5-diamine is CCc1nc2c(N)ncc(-c3ccc(N4CCC(N5CCN(C)CC5)CC4)c(OC)c3)c2nc1NC.
What is the InChIKey of 3-ethyl-8-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-2-N-methylpyrido[3,4-b]pyrazine-2,5-diamine?
The InChIKey is BIFZINMKONRDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N8O/c1-5-21-27(29-2)32-24-20(17-30-26(28)25(24)31-21)18-6-7-22(23(16-18)36-4)35-10-8-19(9-11-35)34-14-12-33(3)13-15-34/h6-7,16-17,19H,5,8-15H2,1-4H3,(H2,28,30)(H,29,32).
What are the key properties of 3-ethyl-8-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-2-N-methylpyrido[3,4-b]pyrazine-2,5-diamine?
3-ethyl-8-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-2-N-methylpyrido[3,4-b]pyrazine-2,5-diamine has a molecular weight of 490.66 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-2-N-methylpyrido[3,4-b]pyrazine-2,5-diamine is sourced from PubChem (CID 169303865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).