N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide

C25H35F2N5O3 — CID 138670729

IUPACN-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
SMILESCc1nc(CC(=O)NC2CCC(CCN3CCc4ccc(OCC(C)(F)F)nc4CC3)CC2)no1
InChIInChI=1S/C25H35F2N5O3/c1-17-28-22(31-35-17)15-23(33)29-20-6-3-18(4-7-20)9-12-32-13-10-19-5-8-24(30-21(19)11-14-32)34-16-25(2,26)27/h5,8,18,20H,3-4,6-7,9-16H2,1-2H3,(H,29,33)
InChIKeySFDFLIFDKGORAT-UHFFFAOYSA-N
MW491.58 g/mol
LogP3.52
Rot. Bonds9

About N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide

N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide (PubChem CID 138670729) has the molecular formula C25H35F2N5O3 and a molecular weight of 491.58 g/mol. Its IUPAC name is N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
PubChem CID138670729
Molecular FormulaC25H35F2N5O3
Molecular Weight491.58 g/mol
Exact Mass491.27
IUPAC NameN-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
SMILESCc1nc(CC(=O)NC2CCC(CCN3CCc4ccc(OCC(C)(F)F)nc4CC3)CC2)no1
InChIInChI=1S/C25H35F2N5O3/c1-17-28-22(31-35-17)15-23(33)29-20-6-3-18(4-7-20)9-12-32-13-10-19-5-8-24(30-21(19)11-14-32)34-16-25(2,26)27/h5,8,18,20H,3-4,6-7,9-16H2,1-2H3,(H,29,33)
InChIKeySFDFLIFDKGORAT-UHFFFAOYSA-N
XLogP3.52
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.58
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide?
The IUPAC name of N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide (CID 138670729) is N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide.
What is the SMILES notation for N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide?
The canonical SMILES for N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide is Cc1nc(CC(=O)NC2CCC(CCN3CCc4ccc(OCC(C)(F)F)nc4CC3)CC2)no1.
What is the InChIKey of N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide?
The InChIKey is SFDFLIFDKGORAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35F2N5O3/c1-17-28-22(31-35-17)15-23(33)29-20-6-3-18(4-7-20)9-12-32-13-10-19-5-8-24(30-21(19)11-14-32)34-16-25(2,26)27/h5,8,18,20H,3-4,6-7,9-16H2,1-2H3,(H,29,33).
What are the key properties of N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide?
N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide has a molecular weight of 491.58 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 138670729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).