2-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile

C23H25N7O — CID 126895922

About 2-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile

2-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile (PubChem CID 126895922) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is 2-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 2-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
• PubChem CID: 126895922
• Molecular Formula: C23H25N7O
• Molecular Weight: 415.50 g/mol
• Exact Mass: 415.21
• IUPAC Name: 2-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
• SMILES: CN(C)c1ncnc2ccc(N3CCN(c4nc5c(cc4C#N)COCC5)CC3)cc12
• InChI: InChI=1S/C23H25N7O/c1-28(2)23-19-12-18(3-4-21(19)25-15-26-23)29-6-8-30(9-7-29)22-16(13-24)11-17-14-31-10-5-20(17)27-22/h3-4,11-12,15H,5-10,14H2,1-2H3
• InChIKey: ZRZIAEMWLTUYHG-UHFFFAOYSA-N
• XLogP: 2.36
• TPSA: 81.41 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.50
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?

The IUPAC name of 2-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile (CID 126895922) is 2-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile.

What is the SMILES notation for 2-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?

The canonical SMILES for 2-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile is CN(C)c1ncnc2ccc(N3CCN(c4nc5c(cc4C#N)COCC5)CC3)cc12.

What is the InChIKey of 2-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?

The InChIKey is ZRZIAEMWLTUYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O/c1-28(2)23-19-12-18(3-4-21(19)25-15-26-23)29-6-8-30(9-7-29)22-16(13-24)11-17-14-31-10-5-20(17)27-22/h3-4,11-12,15H,5-10,14H2,1-2H3.

What are the key properties of 2-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?

2-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile has a molecular weight of 415.50 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 126895922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).