7-(5-methylthiophen-2-yl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine

C18H21N5S — CID 66556371

IUPAC7-(5-methylthiophen-2-yl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
SMILESCc1ccc(-c2cc3nccnc3c(NC[C@H]3CCCNC3)n2)s1
InChIInChI=1S/C18H21N5S/c1-12-4-5-16(24-12)14-9-15-17(21-8-7-20-15)18(23-14)22-11-13-3-2-6-19-10-13/h4-5,7-9,13,19H,2-3,6,10-11H2,1H3,(H,22,23)/t13-/m0/s1
InChIKeyPLLDNGSQDXHYQI-ZDUSSCGKSA-N
MW339.47 g/mol
LogP3.47
Rot. Bonds4

About 7-(5-methylthiophen-2-yl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine

7-(5-methylthiophen-2-yl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine (PubChem CID 66556371) has the molecular formula C18H21N5S and a molecular weight of 339.47 g/mol. Its IUPAC name is 7-(5-methylthiophen-2-yl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound Name7-(5-methylthiophen-2-yl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
PubChem CID66556371
Molecular FormulaC18H21N5S
Molecular Weight339.47 g/mol
Exact Mass339.15
IUPAC Name7-(5-methylthiophen-2-yl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
SMILESCc1ccc(-c2cc3nccnc3c(NC[C@H]3CCCNC3)n2)s1
InChIInChI=1S/C18H21N5S/c1-12-4-5-16(24-12)14-9-15-17(21-8-7-20-15)18(23-14)22-11-13-3-2-6-19-10-13/h4-5,7-9,13,19H,2-3,6,10-11H2,1H3,(H,22,23)/t13-/m0/s1
InChIKeyPLLDNGSQDXHYQI-ZDUSSCGKSA-N
XLogP3.47
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(5-methylthiophen-2-yl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The IUPAC name of 7-(5-methylthiophen-2-yl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine (CID 66556371) is 7-(5-methylthiophen-2-yl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine.
What is the SMILES notation for 7-(5-methylthiophen-2-yl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The canonical SMILES for 7-(5-methylthiophen-2-yl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine is Cc1ccc(-c2cc3nccnc3c(NC[C@H]3CCCNC3)n2)s1.
What is the InChIKey of 7-(5-methylthiophen-2-yl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The InChIKey is PLLDNGSQDXHYQI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21N5S/c1-12-4-5-16(24-12)14-9-15-17(21-8-7-20-15)18(23-14)22-11-13-3-2-6-19-10-13/h4-5,7-9,13,19H,2-3,6,10-11H2,1H3,(H,22,23)/t13-/m0/s1.
What are the key properties of 7-(5-methylthiophen-2-yl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
7-(5-methylthiophen-2-yl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine has a molecular weight of 339.47 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methylthiophen-2-yl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 66556371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).