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

C26H33F2N5O2S — CID 138671638

IUPACN-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-methylindazole-6-carboxamide
SMILESCn1ncc2ccc(C(=O)NC3CCC(CCN4CCc5sc(OCC(C)(F)F)nc5C4)CC3)cc21
InChIInChI=1S/C26H33F2N5O2S/c1-26(27,28)16-35-25-31-21-15-33(12-10-23(21)36-25)11-9-17-3-7-20(8-4-17)30-24(34)18-5-6-19-14-29-32(2)22(19)13-18/h5-6,13-14,17,20H,3-4,7-12,15-16H2,1-2H3,(H,30,34)
InChIKeyJGUQLEIFZRBUST-UHFFFAOYSA-N
MW517.65 g/mol
LogP4.80
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]-1-methylindazole-6-carboxamide

N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-methylindazole-6-carboxamide (PubChem CID 138671638) has the molecular formula C26H33F2N5O2S and a molecular weight of 517.65 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-methylindazole-6-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-methylindazole-6-carboxamide
PubChem CID138671638
Molecular FormulaC26H33F2N5O2S
Molecular Weight517.65 g/mol
Exact Mass517.23
IUPAC NameN-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-methylindazole-6-carboxamide
SMILESCn1ncc2ccc(C(=O)NC3CCC(CCN4CCc5sc(OCC(C)(F)F)nc5C4)CC3)cc21
InChIInChI=1S/C26H33F2N5O2S/c1-26(27,28)16-35-25-31-21-15-33(12-10-23(21)36-25)11-9-17-3-7-20(8-4-17)30-24(34)18-5-6-19-14-29-32(2)22(19)13-18/h5-6,13-14,17,20H,3-4,7-12,15-16H2,1-2H3,(H,30,34)
InChIKeyJGUQLEIFZRBUST-UHFFFAOYSA-N
XLogP4.80
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.65
LogP ≤ 54.80
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-methylindazole-6-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]-1-methylindazole-6-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-methylindazole-6-carboxamide (CID 138671638) is N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-methylindazole-6-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-methylindazole-6-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-methylindazole-6-carboxamide is Cn1ncc2ccc(C(=O)NC3CCC(CCN4CCc5sc(OCC(C)(F)F)nc5C4)CC3)cc21.
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-methylindazole-6-carboxamide?
The InChIKey is JGUQLEIFZRBUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F2N5O2S/c1-26(27,28)16-35-25-31-21-15-33(12-10-23(21)36-25)11-9-17-3-7-20(8-4-17)30-24(34)18-5-6-19-14-29-32(2)22(19)13-18/h5-6,13-14,17,20H,3-4,7-12,15-16H2,1-2H3,(H,30,34).
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-methylindazole-6-carboxamide?
N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-methylindazole-6-carboxamide has a molecular weight of 517.65 g/mol, XLogP of 4.80, 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]-1-methylindazole-6-carboxamide is sourced from PubChem (CID 138671638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).