N-[6-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]spiro[3.3]heptan-2-yl]-2-methylindazole-4-carboxamide

C27H33F2N5O2S — CID 138671468

IUPACN-[6-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]spiro[3.3]heptan-2-yl]-2-methylindazole-4-carboxamide
SMILESCn1cc2c(C(=O)NC3CC4(CC(CCN5CCc6sc(OCC(C)(F)F)nc6C5)C4)C3)cccc2n1
InChIInChI=1S/C27H33F2N5O2S/c1-26(28,29)16-36-25-31-22-15-34(9-7-23(22)37-25)8-6-17-10-27(11-17)12-18(13-27)30-24(35)19-4-3-5-21-20(19)14-33(2)32-21/h3-5,14,17-18H,6-13,15-16H2,1-2H3,(H,30,35)
InChIKeyIJKACRJOPXDGDS-UHFFFAOYSA-N
MW529.66 g/mol
LogP4.80
Rot. Bonds8

About N-[6-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]spiro[3.3]heptan-2-yl]-2-methylindazole-4-carboxamide

N-[6-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]spiro[3.3]heptan-2-yl]-2-methylindazole-4-carboxamide (PubChem CID 138671468) has the molecular formula C27H33F2N5O2S and a molecular weight of 529.66 g/mol. Its IUPAC name is N-[6-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]spiro[3.3]heptan-2-yl]-2-methylindazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]spiro[3.3]heptan-2-yl]-2-methylindazole-4-carboxamide
PubChem CID138671468
Molecular FormulaC27H33F2N5O2S
Molecular Weight529.66 g/mol
Exact Mass529.23
IUPAC NameN-[6-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]spiro[3.3]heptan-2-yl]-2-methylindazole-4-carboxamide
SMILESCn1cc2c(C(=O)NC3CC4(CC(CCN5CCc6sc(OCC(C)(F)F)nc6C5)C4)C3)cccc2n1
InChIInChI=1S/C27H33F2N5O2S/c1-26(28,29)16-36-25-31-22-15-34(9-7-23(22)37-25)8-6-17-10-27(11-17)12-18(13-27)30-24(35)19-4-3-5-21-20(19)14-33(2)32-21/h3-5,14,17-18H,6-13,15-16H2,1-2H3,(H,30,35)
InChIKeyIJKACRJOPXDGDS-UHFFFAOYSA-N
XLogP4.80
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.66
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]spiro[3.3]heptan-2-yl]-2-methylindazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]spiro[3.3]heptan-2-yl]-2-methylindazole-4-carboxamide?
The IUPAC name of N-[6-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]spiro[3.3]heptan-2-yl]-2-methylindazole-4-carboxamide (CID 138671468) is N-[6-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]spiro[3.3]heptan-2-yl]-2-methylindazole-4-carboxamide.
What is the SMILES notation for N-[6-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]spiro[3.3]heptan-2-yl]-2-methylindazole-4-carboxamide?
The canonical SMILES for N-[6-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]spiro[3.3]heptan-2-yl]-2-methylindazole-4-carboxamide is Cn1cc2c(C(=O)NC3CC4(CC(CCN5CCc6sc(OCC(C)(F)F)nc6C5)C4)C3)cccc2n1.
What is the InChIKey of N-[6-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]spiro[3.3]heptan-2-yl]-2-methylindazole-4-carboxamide?
The InChIKey is IJKACRJOPXDGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33F2N5O2S/c1-26(28,29)16-36-25-31-22-15-34(9-7-23(22)37-25)8-6-17-10-27(11-17)12-18(13-27)30-24(35)19-4-3-5-21-20(19)14-33(2)32-21/h3-5,14,17-18H,6-13,15-16H2,1-2H3,(H,30,35).
What are the key properties of N-[6-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]spiro[3.3]heptan-2-yl]-2-methylindazole-4-carboxamide?
N-[6-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]spiro[3.3]heptan-2-yl]-2-methylindazole-4-carboxamide has a molecular weight of 529.66 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-[6-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]spiro[3.3]heptan-2-yl]-2-methylindazole-4-carboxamide is sourced from PubChem (CID 138671468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).