2-[2-[2-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

C22H27N7O — CID 126938116

About 2-[2-[2-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

2-[2-[2-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 126938116) has the molecular formula C22H27N7O and a molecular weight of 405.51 g/mol. Its IUPAC name is 2-[2-[2-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

• Compound Name: 2-[2-[2-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
• PubChem CID: 126938116
• Molecular Formula: C22H27N7O
• Molecular Weight: 405.51 g/mol
• Exact Mass: 405.23
• IUPAC Name: 2-[2-[2-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
• SMILES: O=c1cc2c(nn1CCN1CCCCC1CNc1ccc3nccnc3n1)CCC2
• InChI: InChI=1S/C22H27N7O/c30-21-14-16-4-3-6-18(16)27-29(21)13-12-28-11-2-1-5-17(28)15-25-20-8-7-19-22(26-20)24-10-9-23-19/h7-10,14,17H,1-6,11-13,15H2,(H,24,25,26)
• InChIKey: LDCMQYITPQMWNE-UHFFFAOYSA-N
• XLogP: 2.04
• TPSA: 88.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.51
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?

The IUPAC name of 2-[2-[2-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 126938116) is 2-[2-[2-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

What is the SMILES notation for 2-[2-[2-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?

The canonical SMILES for 2-[2-[2-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is O=c1cc2c(nn1CCN1CCCCC1CNc1ccc3nccnc3n1)CCC2.

What is the InChIKey of 2-[2-[2-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?

The InChIKey is LDCMQYITPQMWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O/c30-21-14-16-4-3-6-18(16)27-29(21)13-12-28-11-2-1-5-17(28)15-25-20-8-7-19-22(26-20)24-10-9-23-19/h7-10,14,17H,1-6,11-13,15H2,(H,24,25,26).

What are the key properties of 2-[2-[2-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?

2-[2-[2-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 405.51 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 126938116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).