[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone

C22H24N4O — CID 128709518

About [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone

[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone (PubChem CID 128709518) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone.

Molecular Properties

• Compound Name: [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone
• PubChem CID: 128709518
• Molecular Formula: C22H24N4O
• Molecular Weight: 360.46 g/mol
• Exact Mass: 360.20
• IUPAC Name: [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone
• SMILES: O=C(c1cc2cccnc2[nH]1)N1CCC(N2CCc3ccccc3C2)CC1
• InChI: InChI=1S/C22H24N4O/c27-22(20-14-17-6-3-10-23-21(17)24-20)25-12-8-19(9-13-25)26-11-7-16-4-1-2-5-18(16)15-26/h1-6,10,14,19H,7-9,11-13,15H2,(H,23,24)
• InChIKey: RHCBDRWMSRVHEJ-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 52.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.46
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone?

The IUPAC name of [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone (CID 128709518) is [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone.

What is the SMILES notation for [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone?

The canonical SMILES for [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone is O=C(c1cc2cccnc2[nH]1)N1CCC(N2CCc3ccccc3C2)CC1.

What is the InChIKey of [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone?

The InChIKey is RHCBDRWMSRVHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c27-22(20-14-17-6-3-10-23-21(17)24-20)25-12-8-19(9-13-25)26-11-7-16-4-1-2-5-18(16)15-26/h1-6,10,14,19H,7-9,11-13,15H2,(H,23,24).

What are the key properties of [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone?

[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone has a molecular weight of 360.46 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone is sourced from PubChem (CID 128709518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).