N-methyl-9-pyrazol-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydro-[1]benzoxepino[4,5-b]pyridin-3-amine

C26H33N5O — CID 156844644

IUPACN-methyl-9-pyrazol-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydro-[1]benzoxepino[4,5-b]pyridin-3-amine
SMILESCN(c1ccc2c(n1)CCOc1cc(-n3cccn3)ccc1-2)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C26H33N5O/c1-25(2)16-19(17-26(3,4)29-25)30(5)24-10-9-20-21-8-7-18(31-13-6-12-27-31)15-23(21)32-14-11-22(20)28-24/h6-10,12-13,15,19,29H,11,14,16-17H2,1-5H3
InChIKeyOLWCOTDOTXSOMQ-UHFFFAOYSA-N
MW431.58 g/mol
LogP4.61
Rot. Bonds3

About N-methyl-9-pyrazol-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydro-[1]benzoxepino[4,5-b]pyridin-3-amine

N-methyl-9-pyrazol-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydro-[1]benzoxepino[4,5-b]pyridin-3-amine (PubChem CID 156844644) has the molecular formula C26H33N5O and a molecular weight of 431.58 g/mol. Its IUPAC name is N-methyl-9-pyrazol-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydro-[1]benzoxepino[4,5-b]pyridin-3-amine.

Molecular Properties

Compound NameN-methyl-9-pyrazol-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydro-[1]benzoxepino[4,5-b]pyridin-3-amine
PubChem CID156844644
Molecular FormulaC26H33N5O
Molecular Weight431.58 g/mol
Exact Mass431.27
IUPAC NameN-methyl-9-pyrazol-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydro-[1]benzoxepino[4,5-b]pyridin-3-amine
SMILESCN(c1ccc2c(n1)CCOc1cc(-n3cccn3)ccc1-2)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C26H33N5O/c1-25(2)16-19(17-26(3,4)29-25)30(5)24-10-9-20-21-8-7-18(31-13-6-12-27-31)15-23(21)32-14-11-22(20)28-24/h6-10,12-13,15,19,29H,11,14,16-17H2,1-5H3
InChIKeyOLWCOTDOTXSOMQ-UHFFFAOYSA-N
XLogP4.61
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-9-pyrazol-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydro-[1]benzoxepino[4,5-b]pyridin-3-amine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-methyl-9-pyrazol-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydro-[1]benzoxepino[4,5-b]pyridin-3-amine?
The IUPAC name of N-methyl-9-pyrazol-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydro-[1]benzoxepino[4,5-b]pyridin-3-amine (CID 156844644) is N-methyl-9-pyrazol-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydro-[1]benzoxepino[4,5-b]pyridin-3-amine.
What is the SMILES notation for N-methyl-9-pyrazol-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydro-[1]benzoxepino[4,5-b]pyridin-3-amine?
The canonical SMILES for N-methyl-9-pyrazol-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydro-[1]benzoxepino[4,5-b]pyridin-3-amine is CN(c1ccc2c(n1)CCOc1cc(-n3cccn3)ccc1-2)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of N-methyl-9-pyrazol-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydro-[1]benzoxepino[4,5-b]pyridin-3-amine?
The InChIKey is OLWCOTDOTXSOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O/c1-25(2)16-19(17-26(3,4)29-25)30(5)24-10-9-20-21-8-7-18(31-13-6-12-27-31)15-23(21)32-14-11-22(20)28-24/h6-10,12-13,15,19,29H,11,14,16-17H2,1-5H3.
What are the key properties of N-methyl-9-pyrazol-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydro-[1]benzoxepino[4,5-b]pyridin-3-amine?
N-methyl-9-pyrazol-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydro-[1]benzoxepino[4,5-b]pyridin-3-amine has a molecular weight of 431.58 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-9-pyrazol-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydro-[1]benzoxepino[4,5-b]pyridin-3-amine is sourced from PubChem (CID 156844644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).