1-(6-methoxy-5-methyl-3-pyridinyl)-3-[1-[(1,2,6-trimethylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazole

C26H36N6O2 — CID 166882700

IUPAC1-(6-methoxy-5-methyl-3-pyridinyl)-3-[1-[(1,2,6-trimethylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazole
SMILESCOc1ncc(-n2nc(-c3cnn(CC4CC(C)N(C)C(C)C4)c3)c3c2CCOCC3)cc1C
InChIInChI=1S/C26H36N6O2/c1-17-10-22(14-27-26(17)33-5)32-24-7-9-34-8-6-23(24)25(29-32)21-13-28-31(16-21)15-20-11-18(2)30(4)19(3)12-20/h10,13-14,16,18-20H,6-9,11-12,15H2,1-5H3
InChIKeyVAMXEPKDRIRRJL-UHFFFAOYSA-N
MW464.61 g/mol
LogP3.68
Rot. Bonds5

About 1-(6-methoxy-5-methyl-3-pyridinyl)-3-[1-[(1,2,6-trimethylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazole

1-(6-methoxy-5-methyl-3-pyridinyl)-3-[1-[(1,2,6-trimethylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazole (PubChem CID 166882700) has the molecular formula C26H36N6O2 and a molecular weight of 464.61 g/mol. Its IUPAC name is 1-(6-methoxy-5-methyl-3-pyridinyl)-3-[1-[(1,2,6-trimethylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazole.

Molecular Properties

Compound Name1-(6-methoxy-5-methyl-3-pyridinyl)-3-[1-[(1,2,6-trimethylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazole
PubChem CID166882700
Molecular FormulaC26H36N6O2
Molecular Weight464.61 g/mol
Exact Mass464.29
IUPAC Name1-(6-methoxy-5-methyl-3-pyridinyl)-3-[1-[(1,2,6-trimethylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazole
SMILESCOc1ncc(-n2nc(-c3cnn(CC4CC(C)N(C)C(C)C4)c3)c3c2CCOCC3)cc1C
InChIInChI=1S/C26H36N6O2/c1-17-10-22(14-27-26(17)33-5)32-24-7-9-34-8-6-23(24)25(29-32)21-13-28-31(16-21)15-20-11-18(2)30(4)19(3)12-20/h10,13-14,16,18-20H,6-9,11-12,15H2,1-5H3
InChIKeyVAMXEPKDRIRRJL-UHFFFAOYSA-N
XLogP3.68
TPSA70.23 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(6-methoxy-5-methyl-3-pyridinyl)-3-[1-[(1,2,6-trimethylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-5-methyl-3-pyridinyl)-3-[1-[(1,2,6-trimethylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazole?
The IUPAC name of 1-(6-methoxy-5-methyl-3-pyridinyl)-3-[1-[(1,2,6-trimethylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazole (CID 166882700) is 1-(6-methoxy-5-methyl-3-pyridinyl)-3-[1-[(1,2,6-trimethylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazole.
What is the SMILES notation for 1-(6-methoxy-5-methyl-3-pyridinyl)-3-[1-[(1,2,6-trimethylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazole?
The canonical SMILES for 1-(6-methoxy-5-methyl-3-pyridinyl)-3-[1-[(1,2,6-trimethylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazole is COc1ncc(-n2nc(-c3cnn(CC4CC(C)N(C)C(C)C4)c3)c3c2CCOCC3)cc1C.
What is the InChIKey of 1-(6-methoxy-5-methyl-3-pyridinyl)-3-[1-[(1,2,6-trimethylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazole?
The InChIKey is VAMXEPKDRIRRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O2/c1-17-10-22(14-27-26(17)33-5)32-24-7-9-34-8-6-23(24)25(29-32)21-13-28-31(16-21)15-20-11-18(2)30(4)19(3)12-20/h10,13-14,16,18-20H,6-9,11-12,15H2,1-5H3.
What are the key properties of 1-(6-methoxy-5-methyl-3-pyridinyl)-3-[1-[(1,2,6-trimethylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazole?
1-(6-methoxy-5-methyl-3-pyridinyl)-3-[1-[(1,2,6-trimethylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazole has a molecular weight of 464.61 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-5-methyl-3-pyridinyl)-3-[1-[(1,2,6-trimethylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazole is sourced from PubChem (CID 166882700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).