1-[1-(oxan-4-yl)-3-[2-(6-propan-2-yl-3-pyridinyl)quinazolin-5-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C29H32N6O2 — CID 177123026

About 1-[1-(oxan-4-yl)-3-[2-(6-propan-2-yl-3-pyridinyl)quinazolin-5-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[1-(oxan-4-yl)-3-[2-(6-propan-2-yl-3-pyridinyl)quinazolin-5-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 177123026) has the molecular formula C29H32N6O2 and a molecular weight of 496.62 g/mol. Its IUPAC name is 1-[1-(oxan-4-yl)-3-[2-(6-propan-2-yl-3-pyridinyl)quinazolin-5-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 1-[1-(oxan-4-yl)-3-[2-(6-propan-2-yl-3-pyridinyl)quinazolin-5-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• PubChem CID: 177123026
• Molecular Formula: C29H32N6O2
• Molecular Weight: 496.62 g/mol
• Exact Mass: 496.26
• IUPAC Name: 1-[1-(oxan-4-yl)-3-[2-(6-propan-2-yl-3-pyridinyl)quinazolin-5-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• SMILES: CC(=O)N1CCc2c(c(-c3cccc4nc(-c5ccc(C(C)C)nc5)ncc34)nn2C2CCOCC2)C1
• InChI: InChI=1S/C29H32N6O2/c1-18(2)25-8-7-20(15-30-25)29-31-16-23-22(5-4-6-26(23)32-29)28-24-17-34(19(3)36)12-9-27(24)35(33-28)21-10-13-37-14-11-21/h4-8,15-16,18,21H,9-14,17H2,1-3H3
• InChIKey: RXYOWISMDXZKEY-UHFFFAOYSA-N
• XLogP: 4.93
• TPSA: 86.03 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.62
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxan-4-yl)-3-[2-(6-propan-2-yl-3-pyridinyl)quinazolin-5-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The IUPAC name of 1-[1-(oxan-4-yl)-3-[2-(6-propan-2-yl-3-pyridinyl)quinazolin-5-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 177123026) is 1-[1-(oxan-4-yl)-3-[2-(6-propan-2-yl-3-pyridinyl)quinazolin-5-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

What is the SMILES notation for 1-[1-(oxan-4-yl)-3-[2-(6-propan-2-yl-3-pyridinyl)quinazolin-5-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The canonical SMILES for 1-[1-(oxan-4-yl)-3-[2-(6-propan-2-yl-3-pyridinyl)quinazolin-5-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(-c3cccc4nc(-c5ccc(C(C)C)nc5)ncc34)nn2C2CCOCC2)C1.

What is the InChIKey of 1-[1-(oxan-4-yl)-3-[2-(6-propan-2-yl-3-pyridinyl)quinazolin-5-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The InChIKey is RXYOWISMDXZKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O2/c1-18(2)25-8-7-20(15-30-25)29-31-16-23-22(5-4-6-26(23)32-29)28-24-17-34(19(3)36)12-9-27(24)35(33-28)21-10-13-37-14-11-21/h4-8,15-16,18,21H,9-14,17H2,1-3H3.

What are the key properties of 1-[1-(oxan-4-yl)-3-[2-(6-propan-2-yl-3-pyridinyl)quinazolin-5-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

1-[1-(oxan-4-yl)-3-[2-(6-propan-2-yl-3-pyridinyl)quinazolin-5-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 496.62 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(oxan-4-yl)-3-[2-(6-propan-2-yl-3-pyridinyl)quinazolin-5-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 177123026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).