7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine

C21H28N8O — CID 71489008

IUPAC7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
SMILESCN1CCC(n2cc(-c3cc4nccnc4c(NC[C@@H]4CNCCO4)n3)cn2)CC1
InChIInChI=1S/C21H28N8O/c1-28-7-2-16(3-8-28)29-14-15(11-26-29)18-10-19-20(24-5-4-23-19)21(27-18)25-13-17-12-22-6-9-30-17/h4-5,10-11,14,16-17,22H,2-3,6-9,12-13H2,1H3,(H,25,27)/t17-/m0/s1
InChIKeyLXAGGGAWUMLZPG-KRWDZBQOSA-N
MW408.51 g/mol
LogP1.56
Rot. Bonds5

About 7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine

7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine (PubChem CID 71489008) has the molecular formula C21H28N8O and a molecular weight of 408.51 g/mol. Its IUPAC name is 7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound Name7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
PubChem CID71489008
Molecular FormulaC21H28N8O
Molecular Weight408.51 g/mol
Exact Mass408.24
IUPAC Name7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
SMILESCN1CCC(n2cc(-c3cc4nccnc4c(NC[C@@H]4CNCCO4)n3)cn2)CC1
InChIInChI=1S/C21H28N8O/c1-28-7-2-16(3-8-28)29-14-15(11-26-29)18-10-19-20(24-5-4-23-19)21(27-18)25-13-17-12-22-6-9-30-17/h4-5,10-11,14,16-17,22H,2-3,6-9,12-13H2,1H3,(H,25,27)/t17-/m0/s1
InChIKeyLXAGGGAWUMLZPG-KRWDZBQOSA-N
XLogP1.56
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The IUPAC name of 7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine (CID 71489008) is 7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine.
What is the SMILES notation for 7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The canonical SMILES for 7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine is CN1CCC(n2cc(-c3cc4nccnc4c(NC[C@@H]4CNCCO4)n3)cn2)CC1.
What is the InChIKey of 7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The InChIKey is LXAGGGAWUMLZPG-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H28N8O/c1-28-7-2-16(3-8-28)29-14-15(11-26-29)18-10-19-20(24-5-4-23-19)21(27-18)25-13-17-12-22-6-9-30-17/h4-5,10-11,14,16-17,22H,2-3,6-9,12-13H2,1H3,(H,25,27)/t17-/m0/s1.
What are the key properties of 7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine has a molecular weight of 408.51 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 71489008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).