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

C26H32F3N5O2S — CID 155347280

IUPACN-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-5-fluoro-2-methylindazole-4-carboxamide
SMILESCn1cc2c(C(=O)NC3CCC(CCN4CCc5sc(OCC(C)(F)F)nc5C4)CC3)c(F)ccc2n1
InChIInChI=1S/C26H32F3N5O2S/c1-26(28,29)15-36-25-31-21-14-34(12-10-22(21)37-25)11-9-16-3-5-17(6-4-16)30-24(35)23-18-13-33(2)32-20(18)8-7-19(23)27/h7-8,13,16-17H,3-6,9-12,14-15H2,1-2H3,(H,30,35)
InChIKeyPPNVEHNMOQYPLB-UHFFFAOYSA-N
MW535.64 g/mol
LogP4.94
Rot. Bonds8

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

N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-5-fluoro-2-methylindazole-4-carboxamide (PubChem CID 155347280) has the molecular formula C26H32F3N5O2S and a molecular weight of 535.64 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]-5-fluoro-2-methylindazole-4-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]-5-fluoro-2-methylindazole-4-carboxamide
PubChem CID155347280
Molecular FormulaC26H32F3N5O2S
Molecular Weight535.64 g/mol
Exact Mass535.22
IUPAC NameN-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-5-fluoro-2-methylindazole-4-carboxamide
SMILESCn1cc2c(C(=O)NC3CCC(CCN4CCc5sc(OCC(C)(F)F)nc5C4)CC3)c(F)ccc2n1
InChIInChI=1S/C26H32F3N5O2S/c1-26(28,29)15-36-25-31-21-14-34(12-10-22(21)37-25)11-9-16-3-5-17(6-4-16)30-24(35)23-18-13-33(2)32-20(18)8-7-19(23)27/h7-8,13,16-17H,3-6,9-12,14-15H2,1-2H3,(H,30,35)
InChIKeyPPNVEHNMOQYPLB-UHFFFAOYSA-N
XLogP4.94
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.64
LogP ≤ 54.94
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]-5-fluoro-2-methylindazole-4-carboxamide with MolForge

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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]-5-fluoro-2-methylindazole-4-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]-5-fluoro-2-methylindazole-4-carboxamide (CID 155347280) is N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-5-fluoro-2-methylindazole-4-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]-5-fluoro-2-methylindazole-4-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]-5-fluoro-2-methylindazole-4-carboxamide is Cn1cc2c(C(=O)NC3CCC(CCN4CCc5sc(OCC(C)(F)F)nc5C4)CC3)c(F)ccc2n1.
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]-5-fluoro-2-methylindazole-4-carboxamide?
The InChIKey is PPNVEHNMOQYPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F3N5O2S/c1-26(28,29)15-36-25-31-21-14-34(12-10-22(21)37-25)11-9-16-3-5-17(6-4-16)30-24(35)23-18-13-33(2)32-20(18)8-7-19(23)27/h7-8,13,16-17H,3-6,9-12,14-15H2,1-2H3,(H,30,35).
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]-5-fluoro-2-methylindazole-4-carboxamide?
N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-5-fluoro-2-methylindazole-4-carboxamide has a molecular weight of 535.64 g/mol, XLogP of 4.94, 8 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]-5-fluoro-2-methylindazole-4-carboxamide is sourced from PubChem (CID 155347280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).