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

C24H28F3N5O3S — CID 138670478

IUPAC2-methyl-N-[(3S,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]oxan-3-yl]indazole-4-carboxamide
SMILESCn1cc2c(C(=O)N[C@H]3CC[C@H](CCN4CCc5sc(OCC(F)(F)F)nc5C4)OC3)cccc2n1
InChIInChI=1S/C24H28F3N5O3S/c1-31-11-18-17(3-2-4-19(18)30-31)22(33)28-15-5-6-16(34-13-15)7-9-32-10-8-21-20(12-32)29-23(36-21)35-14-24(25,26)27/h2-4,11,15-16H,5-10,12-14H2,1H3,(H,28,33)/t15-,16+/m0/s1
InChIKeyTZVHYRCOIZXSOT-JKSUJKDBSA-N
MW523.58 g/mol
LogP3.70
Rot. Bonds7

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

2-methyl-N-[(3S,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]oxan-3-yl]indazole-4-carboxamide (PubChem CID 138670478) has the molecular formula C24H28F3N5O3S and a molecular weight of 523.58 g/mol. Its IUPAC name is 2-methyl-N-[(3S,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]oxan-3-yl]indazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(3S,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]oxan-3-yl]indazole-4-carboxamide
PubChem CID138670478
Molecular FormulaC24H28F3N5O3S
Molecular Weight523.58 g/mol
Exact Mass523.19
IUPAC Name2-methyl-N-[(3S,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]oxan-3-yl]indazole-4-carboxamide
SMILESCn1cc2c(C(=O)N[C@H]3CC[C@H](CCN4CCc5sc(OCC(F)(F)F)nc5C4)OC3)cccc2n1
InChIInChI=1S/C24H28F3N5O3S/c1-31-11-18-17(3-2-4-19(18)30-31)22(33)28-15-5-6-16(34-13-15)7-9-32-10-8-21-20(12-32)29-23(36-21)35-14-24(25,26)27/h2-4,11,15-16H,5-10,12-14H2,1H3,(H,28,33)/t15-,16+/m0/s1
InChIKeyTZVHYRCOIZXSOT-JKSUJKDBSA-N
XLogP3.70
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.58
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[2-[2-(3-fluorocyclobutyl)oxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide
CID 138670389
N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-7-fluoro-2-methylindazole-4-carboxamide
CID 138670461
N-[4-[2-[2-(2,2-difluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide
CID 138670703
2-methyl-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]indazole-4-carboxamide
CID 138671165
N-[4-[2-[2-(3,3-difluorocyclobutyl)oxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide
CID 138671230
2-methyl-N-[(3S,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]oxan-3-yl]pyrazolo[1,5-a]pyridine-4-carboxamide
CID 138671285
N-[4-[2-[2-(2,2-difluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-methylindazole-6-carboxamide
CID 138671347
2-methyl-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]indazole-4-carboxamide
CID 138671403
2-methyl-N-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]indazole-4-carboxamide
CID 138671433
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
N-[4-[2-[2-(3,3-difluorobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide
CID 138671442
N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide
CID 138671466

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3S,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]oxan-3-yl]indazole-4-carboxamide?
The IUPAC name of 2-methyl-N-[(3S,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]oxan-3-yl]indazole-4-carboxamide (CID 138670478) is 2-methyl-N-[(3S,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]oxan-3-yl]indazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[(3S,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]oxan-3-yl]indazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-[(3S,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]oxan-3-yl]indazole-4-carboxamide is Cn1cc2c(C(=O)N[C@H]3CC[C@H](CCN4CCc5sc(OCC(F)(F)F)nc5C4)OC3)cccc2n1.
What is the InChIKey of 2-methyl-N-[(3S,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]oxan-3-yl]indazole-4-carboxamide?
The InChIKey is TZVHYRCOIZXSOT-JKSUJKDBSA-N. The full InChI is InChI=1S/C24H28F3N5O3S/c1-31-11-18-17(3-2-4-19(18)30-31)22(33)28-15-5-6-16(34-13-15)7-9-32-10-8-21-20(12-32)29-23(36-21)35-14-24(25,26)27/h2-4,11,15-16H,5-10,12-14H2,1H3,(H,28,33)/t15-,16+/m0/s1.
What are the key properties of 2-methyl-N-[(3S,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]oxan-3-yl]indazole-4-carboxamide?
2-methyl-N-[(3S,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]oxan-3-yl]indazole-4-carboxamide has a molecular weight of 523.58 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3S,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]oxan-3-yl]indazole-4-carboxamide is sourced from PubChem (CID 138670478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).