2-(2-methoxyethyl)-6-[3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-3H-isoindol-1-one

C29H34N4O2 — CID 129301907

About 2-(2-methoxyethyl)-6-[3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-3H-isoindol-1-one

2-(2-methoxyethyl)-6-[3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-3H-isoindol-1-one (PubChem CID 129301907) has the molecular formula C29H34N4O2 and a molecular weight of 470.62 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-6-[3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-3H-isoindol-1-one.

Molecular Properties

• Compound Name: 2-(2-methoxyethyl)-6-[3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-3H-isoindol-1-one
• PubChem CID: 129301907
• Molecular Formula: C29H34N4O2
• Molecular Weight: 470.62 g/mol
• Exact Mass: 470.27
• IUPAC Name: 2-(2-methoxyethyl)-6-[3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-3H-isoindol-1-one
• SMILES: COCCN1Cc2ccc(-c3nc4c(cc3-c3cnn(CC5(C)CCCC5)c3)CCC4)cc2C1=O
• InChI: InChI=1S/C29H34N4O2/c1-29(10-3-4-11-29)19-33-18-23(16-30-33)24-14-20-6-5-7-26(20)31-27(24)21-8-9-22-17-32(12-13-35-2)28(34)25(22)15-21/h8-9,14-16,18H,3-7,10-13,17,19H2,1-2H3
• InChIKey: LZKAESQJAKIFFT-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 60.25 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.62
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-6-[3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-3H-isoindol-1-one?

The IUPAC name of 2-(2-methoxyethyl)-6-[3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-3H-isoindol-1-one (CID 129301907) is 2-(2-methoxyethyl)-6-[3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-3H-isoindol-1-one.

What is the SMILES notation for 2-(2-methoxyethyl)-6-[3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-3H-isoindol-1-one?

The canonical SMILES for 2-(2-methoxyethyl)-6-[3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-3H-isoindol-1-one is COCCN1Cc2ccc(-c3nc4c(cc3-c3cnn(CC5(C)CCCC5)c3)CCC4)cc2C1=O.

What is the InChIKey of 2-(2-methoxyethyl)-6-[3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-3H-isoindol-1-one?

The InChIKey is LZKAESQJAKIFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O2/c1-29(10-3-4-11-29)19-33-18-23(16-30-33)24-14-20-6-5-7-26(20)31-27(24)21-8-9-22-17-32(12-13-35-2)28(34)25(22)15-21/h8-9,14-16,18H,3-7,10-13,17,19H2,1-2H3.

What are the key properties of 2-(2-methoxyethyl)-6-[3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-3H-isoindol-1-one?

2-(2-methoxyethyl)-6-[3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-3H-isoindol-1-one has a molecular weight of 470.62 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methoxyethyl)-6-[3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-3H-isoindol-1-one is sourced from PubChem (CID 129301907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).