2-[1-(methoxymethyl)cyclopentyl]-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine

C24H30N6O — CID 90043658

About 2-[1-(methoxymethyl)cyclopentyl]-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine

2-[1-(methoxymethyl)cyclopentyl]-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine (PubChem CID 90043658) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is 2-[1-(methoxymethyl)cyclopentyl]-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine.

Molecular Properties

• Compound Name: 2-[1-(methoxymethyl)cyclopentyl]-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
• PubChem CID: 90043658
• Molecular Formula: C24H30N6O
• Molecular Weight: 418.55 g/mol
• Exact Mass: 418.25
• IUPAC Name: 2-[1-(methoxymethyl)cyclopentyl]-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
• SMILES: COCC1(c2nc3c(c(-c4ccnc(C)c4)c2-c2nn[nH]n2)CCCCC3)CCCC1
• InChI: InChI=1S/C24H30N6O/c1-16-14-17(10-13-25-16)20-18-8-4-3-5-9-19(18)26-22(21(20)23-27-29-30-28-23)24(15-31-2)11-6-7-12-24/h10,13-14H,3-9,11-12,15H2,1-2H3,(H,27,28,29,30)
• InChIKey: HGUQNVMYBMQDSR-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 89.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.55
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methoxymethyl)cyclopentyl]-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?

The IUPAC name of 2-[1-(methoxymethyl)cyclopentyl]-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine (CID 90043658) is 2-[1-(methoxymethyl)cyclopentyl]-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine.

What is the SMILES notation for 2-[1-(methoxymethyl)cyclopentyl]-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?

The canonical SMILES for 2-[1-(methoxymethyl)cyclopentyl]-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine is COCC1(c2nc3c(c(-c4ccnc(C)c4)c2-c2nn[nH]n2)CCCCC3)CCCC1.

What is the InChIKey of 2-[1-(methoxymethyl)cyclopentyl]-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?

The InChIKey is HGUQNVMYBMQDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c1-16-14-17(10-13-25-16)20-18-8-4-3-5-9-19(18)26-22(21(20)23-27-29-30-28-23)24(15-31-2)11-6-7-12-24/h10,13-14H,3-9,11-12,15H2,1-2H3,(H,27,28,29,30).

What are the key properties of 2-[1-(methoxymethyl)cyclopentyl]-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?

2-[1-(methoxymethyl)cyclopentyl]-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine has a molecular weight of 418.55 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(methoxymethyl)cyclopentyl]-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine is sourced from PubChem (CID 90043658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).