2-[[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]amino]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile

C20H21N5O3 — CID 126939329

About 2-[[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]amino]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile

2-[[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]amino]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile (PubChem CID 126939329) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-[[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]amino]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 2-[[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]amino]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
• PubChem CID: 126939329
• Molecular Formula: C20H21N5O3
• Molecular Weight: 379.42 g/mol
• Exact Mass: 379.16
• IUPAC Name: 2-[[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]amino]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
• SMILES: N#Cc1cc2c(nc1NC1COCC1n1nc3c(cc1=O)CCC3)CCOC2
• InChI: InChI=1S/C20H21N5O3/c21-8-13-6-14-9-27-5-4-15(14)22-20(13)23-17-10-28-11-18(17)25-19(26)7-12-2-1-3-16(12)24-25/h6-7,17-18H,1-5,9-11H2,(H,22,23)
• InChIKey: NXGVVVHVHUPRPM-UHFFFAOYSA-N
• XLogP: 1.12
• TPSA: 102.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.42
LogP ≤ 5	1.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]amino]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?

The IUPAC name of 2-[[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]amino]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile (CID 126939329) is 2-[[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]amino]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile.

What is the SMILES notation for 2-[[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]amino]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?

The canonical SMILES for 2-[[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]amino]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile is N#Cc1cc2c(nc1NC1COCC1n1nc3c(cc1=O)CCC3)CCOC2.

What is the InChIKey of 2-[[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]amino]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?

The InChIKey is NXGVVVHVHUPRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c21-8-13-6-14-9-27-5-4-15(14)22-20(13)23-17-10-28-11-18(17)25-19(26)7-12-2-1-3-16(12)24-25/h6-7,17-18H,1-5,9-11H2,(H,22,23).

What are the key properties of 2-[[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]amino]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?

2-[[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]amino]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile has a molecular weight of 379.42 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]amino]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 126939329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).