7-[4-(4-methylpiperazin-1-yl)phenyl]-N-(thiomorpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine

C23H29N7S — CID 71113358

IUPAC7-[4-(4-methylpiperazin-1-yl)phenyl]-N-(thiomorpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
SMILESCN1CCN(c2ccc(-c3cc4nccnc4c(NCC4CNCCS4)n3)cc2)CC1
InChIInChI=1S/C23H29N7S/c1-29-9-11-30(12-10-29)18-4-2-17(3-5-18)20-14-21-22(26-7-6-25-21)23(28-20)27-16-19-15-24-8-13-31-19/h2-7,14,19,24H,8-13,15-16H2,1H3,(H,27,28)
InChIKeyKNSAKQJBMVIYBS-UHFFFAOYSA-N
MW435.60 g/mol
LogP2.56
Rot. Bonds5

About 7-[4-(4-methylpiperazin-1-yl)phenyl]-N-(thiomorpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine

7-[4-(4-methylpiperazin-1-yl)phenyl]-N-(thiomorpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine (PubChem CID 71113358) has the molecular formula C23H29N7S and a molecular weight of 435.60 g/mol. Its IUPAC name is 7-[4-(4-methylpiperazin-1-yl)phenyl]-N-(thiomorpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound Name7-[4-(4-methylpiperazin-1-yl)phenyl]-N-(thiomorpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
PubChem CID71113358
Molecular FormulaC23H29N7S
Molecular Weight435.60 g/mol
Exact Mass435.22
IUPAC Name7-[4-(4-methylpiperazin-1-yl)phenyl]-N-(thiomorpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
SMILESCN1CCN(c2ccc(-c3cc4nccnc4c(NCC4CNCCS4)n3)cc2)CC1
InChIInChI=1S/C23H29N7S/c1-29-9-11-30(12-10-29)18-4-2-17(3-5-18)20-14-21-22(26-7-6-25-21)23(28-20)27-16-19-15-24-8-13-31-19/h2-7,14,19,24H,8-13,15-16H2,1H3,(H,27,28)
InChIKeyKNSAKQJBMVIYBS-UHFFFAOYSA-N
XLogP2.56
TPSA69.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.60
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-[4-(4-methylpiperazin-1-yl)phenyl]-N-(thiomorpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine with MolForge

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Related Compounds

N-(morpholin-2-ylmethyl)-7-(4-piperazin-1-ylphenyl)pyrido[3,4-b]pyrazin-5-amine
CID 163569241
N-[(3-methylpiperidin-4-yl)methyl]-7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine
CID 123975040
1-[4-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]propan-1-one
CID 71113790
2-methoxy-1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]ethanone
CID 78012361
7-(4-methoxyphenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 71113807
CID 161049361
CID 161049361
furan-2-yl-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]methanone
CID 90126636
2-[1-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-4-yl]oxyethanol
CID 78012294
7-(3-methyl-4-morpholin-4-ylphenyl)-N-[[(3R)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113342
7-(3-chloro-4-methylphenyl)-N-[[(3R)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113328
2-[1-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-4-yl]oxyethanol;sulfane
CID 159877071
morpholin-4-yl-[4-[5-(piperidin-3-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]methanone
CID 71113693

Frequently Asked Questions

What is the IUPAC name of 7-[4-(4-methylpiperazin-1-yl)phenyl]-N-(thiomorpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine?
The IUPAC name of 7-[4-(4-methylpiperazin-1-yl)phenyl]-N-(thiomorpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine (CID 71113358) is 7-[4-(4-methylpiperazin-1-yl)phenyl]-N-(thiomorpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine.
What is the SMILES notation for 7-[4-(4-methylpiperazin-1-yl)phenyl]-N-(thiomorpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine?
The canonical SMILES for 7-[4-(4-methylpiperazin-1-yl)phenyl]-N-(thiomorpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine is CN1CCN(c2ccc(-c3cc4nccnc4c(NCC4CNCCS4)n3)cc2)CC1.
What is the InChIKey of 7-[4-(4-methylpiperazin-1-yl)phenyl]-N-(thiomorpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine?
The InChIKey is KNSAKQJBMVIYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7S/c1-29-9-11-30(12-10-29)18-4-2-17(3-5-18)20-14-21-22(26-7-6-25-21)23(28-20)27-16-19-15-24-8-13-31-19/h2-7,14,19,24H,8-13,15-16H2,1H3,(H,27,28).
What are the key properties of 7-[4-(4-methylpiperazin-1-yl)phenyl]-N-(thiomorpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine?
7-[4-(4-methylpiperazin-1-yl)phenyl]-N-(thiomorpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine has a molecular weight of 435.60 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4-methylpiperazin-1-yl)phenyl]-N-(thiomorpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 71113358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).