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

C25H30F3N5O2S — CID 138671435

IUPAC2-methyl-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]indazole-4-carboxamide
SMILESCn1cc2c(C(=O)NC3CCC(CCN4CCc5sc(OCC(F)(F)F)nc5C4)CC3)cccc2n1
InChIInChI=1S/C25H30F3N5O2S/c1-32-13-19-18(3-2-4-20(19)31-32)23(34)29-17-7-5-16(6-8-17)9-11-33-12-10-22-21(14-33)30-24(36-22)35-15-25(26,27)28/h2-4,13,16-17H,5-12,14-15H2,1H3,(H,29,34)
InChIKeyLXBALWXAUSOISX-UHFFFAOYSA-N
MW521.61 g/mol
LogP4.71
Rot. Bonds7

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

2-methyl-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]indazole-4-carboxamide (PubChem CID 138671435) has the molecular formula C25H30F3N5O2S and a molecular weight of 521.61 g/mol. Its IUPAC name is 2-methyl-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]indazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]indazole-4-carboxamide
PubChem CID138671435
Molecular FormulaC25H30F3N5O2S
Molecular Weight521.61 g/mol
Exact Mass521.21
IUPAC Name2-methyl-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]indazole-4-carboxamide
SMILESCn1cc2c(C(=O)NC3CCC(CCN4CCc5sc(OCC(F)(F)F)nc5C4)CC3)cccc2n1
InChIInChI=1S/C25H30F3N5O2S/c1-32-13-19-18(3-2-4-20(19)31-32)23(34)29-17-7-5-16(6-8-17)9-11-33-12-10-22-21(14-33)30-24(36-22)35-15-25(26,27)28/h2-4,13,16-17H,5-12,14-15H2,1H3,(H,29,34)
InChIKeyLXBALWXAUSOISX-UHFFFAOYSA-N
XLogP4.71
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.61
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]indazole-4-carboxamide?
The IUPAC name of 2-methyl-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]indazole-4-carboxamide (CID 138671435) is 2-methyl-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]indazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]indazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]indazole-4-carboxamide is Cn1cc2c(C(=O)NC3CCC(CCN4CCc5sc(OCC(F)(F)F)nc5C4)CC3)cccc2n1.
What is the InChIKey of 2-methyl-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]indazole-4-carboxamide?
The InChIKey is LXBALWXAUSOISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3N5O2S/c1-32-13-19-18(3-2-4-20(19)31-32)23(34)29-17-7-5-16(6-8-17)9-11-33-12-10-22-21(14-33)30-24(36-22)35-15-25(26,27)28/h2-4,13,16-17H,5-12,14-15H2,1H3,(H,29,34).
What are the key properties of 2-methyl-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]indazole-4-carboxamide?
2-methyl-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]indazole-4-carboxamide has a molecular weight of 521.61 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]indazole-4-carboxamide is sourced from PubChem (CID 138671435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).