(5-chlorothiophen-3-yl)-[1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanone;hydrochloride

C20H21Cl2N5OS — CID 127024126

About (5-chlorothiophen-3-yl)-[1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanone;hydrochloride

(5-chlorothiophen-3-yl)-[1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanone;hydrochloride (PubChem CID 127024126) has the molecular formula C20H21Cl2N5OS and a molecular weight of 450.40 g/mol. Its IUPAC name is (5-chlorothiophen-3-yl)-[1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanone;hydrochloride.

Molecular Properties

• Compound Name: (5-chlorothiophen-3-yl)-[1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanone;hydrochloride
• PubChem CID: 127024126
• Molecular Formula: C20H21Cl2N5OS
• Molecular Weight: 450.40 g/mol
• Exact Mass: 449.08
• IUPAC Name: (5-chlorothiophen-3-yl)-[1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanone;hydrochloride
• SMILES: Cl.O=C(c1csc(Cl)c1)C1CCN(c2nc3cnccc3nc2NC2CC2)CC1
• InChI: InChI=1S/C20H20ClN5OS.ClH/c21-17-9-13(11-28-17)18(27)12-4-7-26(8-5-12)20-19(23-14-1-2-14)24-15-3-6-22-10-16(15)25-20;/h3,6,9-12,14H,1-2,4-5,7-8H2,(H,23,24);1H
• InChIKey: URURYEYYKYKSHH-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.40
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-3-yl)-[1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanone;hydrochloride?

The IUPAC name of (5-chlorothiophen-3-yl)-[1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanone;hydrochloride (CID 127024126) is (5-chlorothiophen-3-yl)-[1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanone;hydrochloride.

What is the SMILES notation for (5-chlorothiophen-3-yl)-[1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanone;hydrochloride?

The canonical SMILES for (5-chlorothiophen-3-yl)-[1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanone;hydrochloride is Cl.O=C(c1csc(Cl)c1)C1CCN(c2nc3cnccc3nc2NC2CC2)CC1.

What is the InChIKey of (5-chlorothiophen-3-yl)-[1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanone;hydrochloride?

The InChIKey is URURYEYYKYKSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5OS.ClH/c21-17-9-13(11-28-17)18(27)12-4-7-26(8-5-12)20-19(23-14-1-2-14)24-15-3-6-22-10-16(15)25-20;/h3,6,9-12,14H,1-2,4-5,7-8H2,(H,23,24);1H.

What are the key properties of (5-chlorothiophen-3-yl)-[1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanone;hydrochloride?

(5-chlorothiophen-3-yl)-[1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanone;hydrochloride has a molecular weight of 450.40 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5-chlorothiophen-3-yl)-[1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanone;hydrochloride is sourced from PubChem (CID 127024126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).