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

C20H25N7O2 — CID 71113439

IUPACN-[[(2S)-morpholin-2-yl]methyl]-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-5-amine
SMILESc1cnc2c(NC[C@@H]3CNCCO3)nc(-c3cnn(C4CCOCC4)c3)cc2n1
InChIInChI=1S/C20H25N7O2/c1-6-28-7-2-15(1)27-13-14(10-25-27)17-9-18-19(23-4-3-22-18)20(26-17)24-12-16-11-21-5-8-29-16/h3-4,9-10,13,15-16,21H,1-2,5-8,11-12H2,(H,24,26)/t16-/m0/s1
InChIKeyBVVJUCVBXDTCNL-INIZCTEOSA-N
MW395.47 g/mol
LogP1.64
Rot. Bonds5

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

N-[[(2S)-morpholin-2-yl]methyl]-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-5-amine (PubChem CID 71113439) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is N-[[(2S)-morpholin-2-yl]methyl]-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound NameN-[[(2S)-morpholin-2-yl]methyl]-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-5-amine
PubChem CID71113439
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC NameN-[[(2S)-morpholin-2-yl]methyl]-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-5-amine
SMILESc1cnc2c(NC[C@@H]3CNCCO3)nc(-c3cnn(C4CCOCC4)c3)cc2n1
InChIInChI=1S/C20H25N7O2/c1-6-28-7-2-15(1)27-13-14(10-25-27)17-9-18-19(23-4-3-22-18)20(26-17)24-12-16-11-21-5-8-29-16/h3-4,9-10,13,15-16,21H,1-2,5-8,11-12H2,(H,24,26)/t16-/m0/s1
InChIKeyBVVJUCVBXDTCNL-INIZCTEOSA-N
XLogP1.64
TPSA99.01 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-morpholin-2-yl]methyl]-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-5-amine?
The IUPAC name of N-[[(2S)-morpholin-2-yl]methyl]-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-5-amine (CID 71113439) is N-[[(2S)-morpholin-2-yl]methyl]-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-5-amine.
What is the SMILES notation for N-[[(2S)-morpholin-2-yl]methyl]-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-5-amine?
The canonical SMILES for N-[[(2S)-morpholin-2-yl]methyl]-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-5-amine is c1cnc2c(NC[C@@H]3CNCCO3)nc(-c3cnn(C4CCOCC4)c3)cc2n1.
What is the InChIKey of N-[[(2S)-morpholin-2-yl]methyl]-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-5-amine?
The InChIKey is BVVJUCVBXDTCNL-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-6-28-7-2-15(1)27-13-14(10-25-27)17-9-18-19(23-4-3-22-18)20(26-17)24-12-16-11-21-5-8-29-16/h3-4,9-10,13,15-16,21H,1-2,5-8,11-12H2,(H,24,26)/t16-/m0/s1.
What are the key properties of N-[[(2S)-morpholin-2-yl]methyl]-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-5-amine?
N-[[(2S)-morpholin-2-yl]methyl]-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-5-amine has a molecular weight of 395.47 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-morpholin-2-yl]methyl]-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 71113439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).