N-[4-[2-[2-(3,3-difluorocyclobutyl)oxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide

C26H34F2N4O2S — CID 155347217

IUPACN-[4-[2-[2-(3,3-difluorocyclobutyl)oxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)NC1CCC(CCN2CCc3nc(OC4CC(F)(F)C4)sc3CC2)CC1
InChIInChI=1S/C26H34F2N4O2S/c1-17-21(3-2-11-29-17)24(33)30-19-6-4-18(5-7-19)8-12-32-13-9-22-23(10-14-32)35-25(31-22)34-20-15-26(27,28)16-20/h2-3,11,18-20H,4-10,12-16H2,1H3,(H,30,33)
InChIKeyBHFHISLIGZMIKQ-UHFFFAOYSA-N
MW504.65 g/mol
LogP4.80
Rot. Bonds7

About N-[4-[2-[2-(3,3-difluorocyclobutyl)oxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide

N-[4-[2-[2-(3,3-difluorocyclobutyl)oxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide (PubChem CID 155347217) has the molecular formula C26H34F2N4O2S and a molecular weight of 504.65 g/mol. Its IUPAC name is N-[4-[2-[2-(3,3-difluorocyclobutyl)oxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[2-(3,3-difluorocyclobutyl)oxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide
PubChem CID155347217
Molecular FormulaC26H34F2N4O2S
Molecular Weight504.65 g/mol
Exact Mass504.24
IUPAC NameN-[4-[2-[2-(3,3-difluorocyclobutyl)oxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)NC1CCC(CCN2CCc3nc(OC4CC(F)(F)C4)sc3CC2)CC1
InChIInChI=1S/C26H34F2N4O2S/c1-17-21(3-2-11-29-17)24(33)30-19-6-4-18(5-7-19)8-12-32-13-9-22-23(10-14-32)35-25(31-22)34-20-15-26(27,28)16-20/h2-3,11,18-20H,4-10,12-16H2,1H3,(H,30,33)
InChIKeyBHFHISLIGZMIKQ-UHFFFAOYSA-N
XLogP4.80
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.65
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-[2-(3,3-difluorocyclobutyl)oxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[(3S,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]oxan-3-yl]pyridine-3-carboxamide
CID 138670766
N-[4-fluoro-4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 138670793
2-(2-methyl-1,3-thiazol-5-yl)-N-[4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide
CID 138671105
N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 138671461
2-methyl-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]pyridine-3-carboxamide
CID 138671636
2-(difluoromethyl)-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]-1-bicyclo[2.2.2]octanyl]pyridine-3-carboxamide
CID 153196628
N-[4-[2-[2-(2,2-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 155347384
2-methyl-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]-1-bicyclo[2.2.2]octanyl]pyridine-3-carboxamide
CID 155347550
2-(difluoromethyl)-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]pyridine-3-carboxamide
CID 155791894
N-[4-[2-[2-(2,2-difluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]-4-fluorocyclohexyl]-2-methylpyrazolo[1,5-a]pyridine-4-carboxamide
CID 156058343
N-[4-[2-[2-(3,3-difluorocyclobutyl)oxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide
CID 156058356
2-methyl-N-[4-[2-[2-(3,3,3-trifluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]pyridine-3-carboxamide
CID 156058359

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(3,3-difluorocyclobutyl)oxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of N-[4-[2-[2-(3,3-difluorocyclobutyl)oxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide (CID 155347217) is N-[4-[2-[2-(3,3-difluorocyclobutyl)oxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-[2-[2-(3,3-difluorocyclobutyl)oxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-[4-[2-[2-(3,3-difluorocyclobutyl)oxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide is Cc1ncccc1C(=O)NC1CCC(CCN2CCc3nc(OC4CC(F)(F)C4)sc3CC2)CC1.
What is the InChIKey of N-[4-[2-[2-(3,3-difluorocyclobutyl)oxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The InChIKey is BHFHISLIGZMIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34F2N4O2S/c1-17-21(3-2-11-29-17)24(33)30-19-6-4-18(5-7-19)8-12-32-13-9-22-23(10-14-32)35-25(31-22)34-20-15-26(27,28)16-20/h2-3,11,18-20H,4-10,12-16H2,1H3,(H,30,33).
What are the key properties of N-[4-[2-[2-(3,3-difluorocyclobutyl)oxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
N-[4-[2-[2-(3,3-difluorocyclobutyl)oxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide has a molecular weight of 504.65 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(3,3-difluorocyclobutyl)oxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 155347217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).