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

C26H32F2N6OS — CID 138671371

IUPACN-[4-[2-[2-(3,3-difluoroazetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide
SMILESCn1cc2c(C(=O)NC3CCC(CCN4CCc5sc(N6CC(F)(F)C6)nc5C4)CC3)cccc2n1
InChIInChI=1S/C26H32F2N6OS/c1-32-13-20-19(3-2-4-21(20)31-32)24(35)29-18-7-5-17(6-8-18)9-11-33-12-10-23-22(14-33)30-25(36-23)34-15-26(27,28)16-34/h2-4,13,17-18H,5-12,14-16H2,1H3,(H,29,35)
InChIKeyIWOSLDUAAMOOBE-UHFFFAOYSA-N
MW514.65 g/mol
LogP4.22
Rot. Bonds6

About N-[4-[2-[2-(3,3-difluoroazetidin-1-yl)-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-difluoroazetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide (PubChem CID 138671371) has the molecular formula C26H32F2N6OS and a molecular weight of 514.65 g/mol. Its IUPAC name is N-[4-[2-[2-(3,3-difluoroazetidin-1-yl)-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-difluoroazetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide
PubChem CID138671371
Molecular FormulaC26H32F2N6OS
Molecular Weight514.65 g/mol
Exact Mass514.23
IUPAC NameN-[4-[2-[2-(3,3-difluoroazetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide
SMILESCn1cc2c(C(=O)NC3CCC(CCN4CCc5sc(N6CC(F)(F)C6)nc5C4)CC3)cccc2n1
InChIInChI=1S/C26H32F2N6OS/c1-32-13-20-19(3-2-4-21(20)31-32)24(35)29-18-7-5-17(6-8-18)9-11-33-12-10-23-22(14-33)30-25(36-23)34-15-26(27,28)16-34/h2-4,13,17-18H,5-12,14-16H2,1H3,(H,29,35)
InChIKeyIWOSLDUAAMOOBE-UHFFFAOYSA-N
XLogP4.22
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.65
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[2-[2-(3,3-difluoroazetidin-1-yl)-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-difluoroazetidin-1-yl)-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-difluoroazetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide (CID 138671371) is N-[4-[2-[2-(3,3-difluoroazetidin-1-yl)-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-difluoroazetidin-1-yl)-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-difluoroazetidin-1-yl)-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(N6CC(F)(F)C6)nc5C4)CC3)cccc2n1.
What is the InChIKey of N-[4-[2-[2-(3,3-difluoroazetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide?
The InChIKey is IWOSLDUAAMOOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F2N6OS/c1-32-13-20-19(3-2-4-21(20)31-32)24(35)29-18-7-5-17(6-8-18)9-11-33-12-10-23-22(14-33)30-25(36-23)34-15-26(27,28)16-34/h2-4,13,17-18H,5-12,14-16H2,1H3,(H,29,35).
What are the key properties of N-[4-[2-[2-(3,3-difluoroazetidin-1-yl)-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-difluoroazetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide has a molecular weight of 514.65 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(3,3-difluoroazetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide is sourced from PubChem (CID 138671371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).