N-[(S)-(6-methoxy-2-pyridinyl)-[(3R)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl]methyl]-2-(4-methylphenyl)ethanamine

C23H27N5O — CID 176990936

IUPACN-[(S)-(6-methoxy-2-pyridinyl)-[(3R)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl]methyl]-2-(4-methylphenyl)ethanamine
SMILESCOc1cccc([C@@H](NCCc2ccc(C)cc2)[C@H]2CNc3cccnc3N2)n1
InChIInChI=1S/C23H27N5O/c1-16-8-10-17(11-9-16)12-14-24-22(18-5-3-7-21(27-18)29-2)20-15-26-19-6-4-13-25-23(19)28-20/h3-11,13,20,22,24,26H,12,14-15H2,1-2H3,(H,25,28)/t20-,22-/m1/s1
InChIKeyUNEYCCPCRRNJKA-IFMALSPDSA-N
MW389.50 g/mol
LogP3.57
Rot. Bonds7

About N-[(S)-(6-methoxy-2-pyridinyl)-[(3R)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl]methyl]-2-(4-methylphenyl)ethanamine

N-[(S)-(6-methoxy-2-pyridinyl)-[(3R)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl]methyl]-2-(4-methylphenyl)ethanamine (PubChem CID 176990936) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[(S)-(6-methoxy-2-pyridinyl)-[(3R)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl]methyl]-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(S)-(6-methoxy-2-pyridinyl)-[(3R)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl]methyl]-2-(4-methylphenyl)ethanamine
PubChem CID176990936
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC NameN-[(S)-(6-methoxy-2-pyridinyl)-[(3R)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl]methyl]-2-(4-methylphenyl)ethanamine
SMILESCOc1cccc([C@@H](NCCc2ccc(C)cc2)[C@H]2CNc3cccnc3N2)n1
InChIInChI=1S/C23H27N5O/c1-16-8-10-17(11-9-16)12-14-24-22(18-5-3-7-21(27-18)29-2)20-15-26-19-6-4-13-25-23(19)28-20/h3-11,13,20,22,24,26H,12,14-15H2,1-2H3,(H,25,28)/t20-,22-/m1/s1
InChIKeyUNEYCCPCRRNJKA-IFMALSPDSA-N
XLogP3.57
TPSA71.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-(6-methoxy-2-pyridinyl)-[(3R)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl]methyl]-2-(4-methylphenyl)ethanamine?
The IUPAC name of N-[(S)-(6-methoxy-2-pyridinyl)-[(3R)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl]methyl]-2-(4-methylphenyl)ethanamine (CID 176990936) is N-[(S)-(6-methoxy-2-pyridinyl)-[(3R)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl]methyl]-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for N-[(S)-(6-methoxy-2-pyridinyl)-[(3R)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl]methyl]-2-(4-methylphenyl)ethanamine?
The canonical SMILES for N-[(S)-(6-methoxy-2-pyridinyl)-[(3R)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl]methyl]-2-(4-methylphenyl)ethanamine is COc1cccc([C@@H](NCCc2ccc(C)cc2)[C@H]2CNc3cccnc3N2)n1.
What is the InChIKey of N-[(S)-(6-methoxy-2-pyridinyl)-[(3R)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl]methyl]-2-(4-methylphenyl)ethanamine?
The InChIKey is UNEYCCPCRRNJKA-IFMALSPDSA-N. The full InChI is InChI=1S/C23H27N5O/c1-16-8-10-17(11-9-16)12-14-24-22(18-5-3-7-21(27-18)29-2)20-15-26-19-6-4-13-25-23(19)28-20/h3-11,13,20,22,24,26H,12,14-15H2,1-2H3,(H,25,28)/t20-,22-/m1/s1.
What are the key properties of N-[(S)-(6-methoxy-2-pyridinyl)-[(3R)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl]methyl]-2-(4-methylphenyl)ethanamine?
N-[(S)-(6-methoxy-2-pyridinyl)-[(3R)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl]methyl]-2-(4-methylphenyl)ethanamine has a molecular weight of 389.50 g/mol, XLogP of 3.57, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(6-methoxy-2-pyridinyl)-[(3R)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl]methyl]-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 176990936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).