N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-methoxyisoquinoline-5-carboxamide

C28H34F2N4O3S — CID 138671637

IUPACN-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-methoxyisoquinoline-5-carboxamide
SMILESCOc1nccc2c(C(=O)NC3CCC(CCN4CCc5sc(OCC(C)(F)F)nc5C4)CC3)cccc12
InChIInChI=1S/C28H34F2N4O3S/c1-28(29,30)17-37-27-33-23-16-34(15-12-24(23)38-27)14-11-18-6-8-19(9-7-18)32-25(35)21-4-3-5-22-20(21)10-13-31-26(22)36-2/h3-5,10,13,18-19H,6-9,11-12,14-17H2,1-2H3,(H,32,35)
InChIKeyWRYNZCYVWNHTTC-UHFFFAOYSA-N
MW544.67 g/mol
LogP5.47
Rot. Bonds9

About N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-methoxyisoquinoline-5-carboxamide

N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-methoxyisoquinoline-5-carboxamide (PubChem CID 138671637) has the molecular formula C28H34F2N4O3S and a molecular weight of 544.67 g/mol. Its IUPAC name is N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-methoxyisoquinoline-5-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-methoxyisoquinoline-5-carboxamide
PubChem CID138671637
Molecular FormulaC28H34F2N4O3S
Molecular Weight544.67 g/mol
Exact Mass544.23
IUPAC NameN-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-methoxyisoquinoline-5-carboxamide
SMILESCOc1nccc2c(C(=O)NC3CCC(CCN4CCc5sc(OCC(C)(F)F)nc5C4)CC3)cccc12
InChIInChI=1S/C28H34F2N4O3S/c1-28(29,30)17-37-27-33-23-16-34(15-12-24(23)38-27)14-11-18-6-8-19(9-7-18)32-25(35)21-4-3-5-22-20(21)10-13-31-26(22)36-2/h3-5,10,13,18-19H,6-9,11-12,14-17H2,1-2H3,(H,32,35)
InChIKeyWRYNZCYVWNHTTC-UHFFFAOYSA-N
XLogP5.47
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.67
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-methoxyisoquinoline-5-carboxamide with MolForge

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Related Compounds

N-{2-[4-(3,4-difluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl}quinoline-5-carboxamide
CID 134303578
N-{2-[4-(2-fluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl}quinoline-5-carboxamide
CID 134303630
N-{2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-(2-fluorophenoxy)piperidin-1-yl]ethyl}quinoline-5-carboxamide
CID 134303688
N-{2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-(3,5-difluorophenoxy)piperidin-1-yl]ethyl}quinoline-5-carboxamide
CID 134303530
N-{2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-(3-fluorophenoxy)piperidin-1-yl]ethyl}quinoline-5-carboxamide
CID 134303539
N-{2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-(4-fluorophenoxy)piperidin-1-yl]ethyl}quinoline-5-carboxamide
CID 134303567
N-{2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl}quinoline-5-carboxamide
CID 134303579
N-{2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl}quinoline-5-carboxamide
CID 134303679
N-{2-[4-(3,5-difluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl}quinoline-5-carboxamide
CID 134303695
3-amino-6-(6-methoxy-3-pyridinyl)-N-(1-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 177822859
N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-6-methoxypyridine-2-carboxamide
CID 138670484
N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methoxypyridine-3-carboxamide
CID 138670857

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-methoxyisoquinoline-5-carboxamide?
The IUPAC name of N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-methoxyisoquinoline-5-carboxamide (CID 138671637) is N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-methoxyisoquinoline-5-carboxamide.
What is the SMILES notation for N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-methoxyisoquinoline-5-carboxamide?
The canonical SMILES for N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-methoxyisoquinoline-5-carboxamide is COc1nccc2c(C(=O)NC3CCC(CCN4CCc5sc(OCC(C)(F)F)nc5C4)CC3)cccc12.
What is the InChIKey of N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-methoxyisoquinoline-5-carboxamide?
The InChIKey is WRYNZCYVWNHTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34F2N4O3S/c1-28(29,30)17-37-27-33-23-16-34(15-12-24(23)38-27)14-11-18-6-8-19(9-7-18)32-25(35)21-4-3-5-22-20(21)10-13-31-26(22)36-2/h3-5,10,13,18-19H,6-9,11-12,14-17H2,1-2H3,(H,32,35).
What are the key properties of N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-methoxyisoquinoline-5-carboxamide?
N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-methoxyisoquinoline-5-carboxamide has a molecular weight of 544.67 g/mol, XLogP of 5.47, 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)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-methoxyisoquinoline-5-carboxamide is sourced from PubChem (CID 138671637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).