N-[[(3S)-piperidin-3-yl]methyl]-7-(6-propan-2-yloxy-3-pyridinyl)pyrido[3,4-b]pyrazin-5-amine;hydrochloride

C21H27ClN6O — CID 66556702

About N-[[(3S)-piperidin-3-yl]methyl]-7-(6-propan-2-yloxy-3-pyridinyl)pyrido[3,4-b]pyrazin-5-amine;hydrochloride

N-[[(3S)-piperidin-3-yl]methyl]-7-(6-propan-2-yloxy-3-pyridinyl)pyrido[3,4-b]pyrazin-5-amine;hydrochloride (PubChem CID 66556702) has the molecular formula C21H27ClN6O and a molecular weight of 414.94 g/mol. Its IUPAC name is N-[[(3S)-piperidin-3-yl]methyl]-7-(6-propan-2-yloxy-3-pyridinyl)pyrido[3,4-b]pyrazin-5-amine;hydrochloride.

Molecular Properties

• Compound Name: N-[[(3S)-piperidin-3-yl]methyl]-7-(6-propan-2-yloxy-3-pyridinyl)pyrido[3,4-b]pyrazin-5-amine;hydrochloride
• PubChem CID: 66556702
• Molecular Formula: C21H27ClN6O
• Molecular Weight: 414.94 g/mol
• Exact Mass: 414.19
• IUPAC Name: N-[[(3S)-piperidin-3-yl]methyl]-7-(6-propan-2-yloxy-3-pyridinyl)pyrido[3,4-b]pyrazin-5-amine;hydrochloride
• SMILES: CC(C)Oc1ccc(-c2cc3nccnc3c(NC[C@H]3CCCNC3)n2)cn1.Cl
• InChI: InChI=1S/C21H26N6O.ClH/c1-14(2)28-19-6-5-16(13-25-19)17-10-18-20(24-9-8-23-18)21(27-17)26-12-15-4-3-7-22-11-15;/h5-6,8-10,13-15,22H,3-4,7,11-12H2,1-2H3,(H,26,27);1H/t15-;/m0./s1
• InChIKey: RSPGKVGVZLEINP-RSAXXLAASA-N
• XLogP: 3.71
• TPSA: 84.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.94
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-piperidin-3-yl]methyl]-7-(6-propan-2-yloxy-3-pyridinyl)pyrido[3,4-b]pyrazin-5-amine;hydrochloride?

The IUPAC name of N-[[(3S)-piperidin-3-yl]methyl]-7-(6-propan-2-yloxy-3-pyridinyl)pyrido[3,4-b]pyrazin-5-amine;hydrochloride (CID 66556702) is N-[[(3S)-piperidin-3-yl]methyl]-7-(6-propan-2-yloxy-3-pyridinyl)pyrido[3,4-b]pyrazin-5-amine;hydrochloride.

What is the SMILES notation for N-[[(3S)-piperidin-3-yl]methyl]-7-(6-propan-2-yloxy-3-pyridinyl)pyrido[3,4-b]pyrazin-5-amine;hydrochloride?

The canonical SMILES for N-[[(3S)-piperidin-3-yl]methyl]-7-(6-propan-2-yloxy-3-pyridinyl)pyrido[3,4-b]pyrazin-5-amine;hydrochloride is CC(C)Oc1ccc(-c2cc3nccnc3c(NC[C@H]3CCCNC3)n2)cn1.Cl.

What is the InChIKey of N-[[(3S)-piperidin-3-yl]methyl]-7-(6-propan-2-yloxy-3-pyridinyl)pyrido[3,4-b]pyrazin-5-amine;hydrochloride?

The InChIKey is RSPGKVGVZLEINP-RSAXXLAASA-N. The full InChI is InChI=1S/C21H26N6O.ClH/c1-14(2)28-19-6-5-16(13-25-19)17-10-18-20(24-9-8-23-18)21(27-17)26-12-15-4-3-7-22-11-15;/h5-6,8-10,13-15,22H,3-4,7,11-12H2,1-2H3,(H,26,27);1H/t15-;/m0./s1.

What are the key properties of N-[[(3S)-piperidin-3-yl]methyl]-7-(6-propan-2-yloxy-3-pyridinyl)pyrido[3,4-b]pyrazin-5-amine;hydrochloride?

N-[[(3S)-piperidin-3-yl]methyl]-7-(6-propan-2-yloxy-3-pyridinyl)pyrido[3,4-b]pyrazin-5-amine;hydrochloride has a molecular weight of 414.94 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(3S)-piperidin-3-yl]methyl]-7-(6-propan-2-yloxy-3-pyridinyl)pyrido[3,4-b]pyrazin-5-amine;hydrochloride is sourced from PubChem (CID 66556702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).