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

C26H33F2N5OS — CID 138671504

IUPACN-[4-[2-[2-(3,3-difluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide
SMILESCn1cc2c(C(=O)NC3CCC(CCN4CCc5sc(CCC(F)F)nc5C4)CC3)cccc2n1
InChIInChI=1S/C26H33F2N5OS/c1-32-15-20-19(3-2-4-21(20)31-32)26(34)29-18-7-5-17(6-8-18)11-13-33-14-12-23-22(16-33)30-25(35-23)10-9-24(27)28/h2-4,15,17-18,24H,5-14,16H2,1H3,(H,29,34)
InChIKeyOAUBLUIXSXPHTA-UHFFFAOYSA-N
MW501.65 g/mol
LogP4.96
Rot. Bonds8

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

N-[4-[2-[2-(3,3-difluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide (PubChem CID 138671504) has the molecular formula C26H33F2N5OS and a molecular weight of 501.65 g/mol. Its IUPAC name is N-[4-[2-[2-(3,3-difluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[2-(3,3-difluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide
PubChem CID138671504
Molecular FormulaC26H33F2N5OS
Molecular Weight501.65 g/mol
Exact Mass501.24
IUPAC NameN-[4-[2-[2-(3,3-difluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide
SMILESCn1cc2c(C(=O)NC3CCC(CCN4CCc5sc(CCC(F)F)nc5C4)CC3)cccc2n1
InChIInChI=1S/C26H33F2N5OS/c1-32-15-20-19(3-2-4-21(20)31-32)26(34)29-18-7-5-17(6-8-18)11-13-33-14-12-23-22(16-33)30-25(35-23)10-9-24(27)28/h2-4,15,17-18,24H,5-14,16H2,1H3,(H,29,34)
InChIKeyOAUBLUIXSXPHTA-UHFFFAOYSA-N
XLogP4.96
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.65
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(3,3-difluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide?
The IUPAC name of N-[4-[2-[2-(3,3-difluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide (CID 138671504) is N-[4-[2-[2-(3,3-difluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide.
What is the SMILES notation for N-[4-[2-[2-(3,3-difluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide?
The canonical SMILES for N-[4-[2-[2-(3,3-difluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide is Cn1cc2c(C(=O)NC3CCC(CCN4CCc5sc(CCC(F)F)nc5C4)CC3)cccc2n1.
What is the InChIKey of N-[4-[2-[2-(3,3-difluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide?
The InChIKey is OAUBLUIXSXPHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F2N5OS/c1-32-15-20-19(3-2-4-21(20)31-32)26(34)29-18-7-5-17(6-8-18)11-13-33-14-12-23-22(16-33)30-25(35-23)10-9-24(27)28/h2-4,15,17-18,24H,5-14,16H2,1H3,(H,29,34).
What are the key properties of N-[4-[2-[2-(3,3-difluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide?
N-[4-[2-[2-(3,3-difluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide has a molecular weight of 501.65 g/mol, XLogP of 4.96, 8 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-difluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide is sourced from PubChem (CID 138671504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).