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

C25H30F3N5O3S — CID 138671285

IUPAC2-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
SMILESCc1cc2c(C(=O)N[C@H]3CC[C@H](CCN4CCc5nc(OCC(F)(F)F)sc5CC4)OC3)cccn2n1
InChIInChI=1S/C25H30F3N5O3S/c1-16-13-21-19(3-2-9-33(21)31-16)23(34)29-17-4-5-18(35-14-17)6-10-32-11-7-20-22(8-12-32)37-24(30-20)36-15-25(26,27)28/h2-3,9,13,17-18H,4-8,10-12,14-15H2,1H3,(H,29,34)/t17-,18+/m0/s1
InChIKeyLAPJQCOVOJOXOO-ZWKOTPCHSA-N
MW537.61 g/mol
LogP3.81
Rot. Bonds7

About 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

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 (PubChem CID 138671285) has the molecular formula C25H30F3N5O3S and a molecular weight of 537.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID138671285
Molecular FormulaC25H30F3N5O3S
Molecular Weight537.61 g/mol
Exact Mass537.20
IUPAC Name2-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
SMILESCc1cc2c(C(=O)N[C@H]3CC[C@H](CCN4CCc5nc(OCC(F)(F)F)sc5CC4)OC3)cccn2n1
InChIInChI=1S/C25H30F3N5O3S/c1-16-13-21-19(3-2-9-33(21)31-16)23(34)29-17-4-5-18(35-14-17)6-10-32-11-7-20-22(8-12-32)37-24(30-20)36-15-25(26,27)28/h2-3,9,13,17-18H,4-8,10-12,14-15H2,1H3,(H,29,34)/t17-,18+/m0/s1
InChIKeyLAPJQCOVOJOXOO-ZWKOTPCHSA-N
XLogP3.81
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.61
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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]pyridine-3-carboxamide
CID 138670766
N-[(3S,6R)-6-[2-[2-(2,2-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]oxan-3-yl]-2-methylindazole-4-carboxamide
CID 155347362
N-[4-[2-[2-(2,2-difluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]-4-fluorocyclohexyl]-2-methylpyrazolo[1,5-a]pyridine-4-carboxamide
CID 156058343
N-[(3S,6R)-6-[2-[2-(2,2-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]oxan-3-yl]-2-methylindazole-6-carboxamide
CID 156058438
N-[4-[2-[2-(2,2-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 156058462
2-methyl-N-[1-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]indazole-4-carboxamide
CID 156058507
N-[(3S,6R)-6-[2-[2-(2,2-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]oxan-3-yl]-1-methylindazole-6-carboxamide
CID 156058522
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-7-carboxamide
CID 138670361
N-[4-[2-[2-(2,2-difluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]pyrrolo[1,2-b]pyridazine-5-carboxamide
CID 138670410
N-[4-[2-[2-(2,2-difluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]pyrazolo[1,5-a]pyridine-4-carboxamide
CID 138670417
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
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]pyrazolo[1,5-a]pyridine-4-carboxamide
CID 138670515

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc2c(C(=O)N[C@H]3CC[C@H](CCN4CCc5nc(OCC(F)(F)F)sc5CC4)OC3)cccn2n1.
What is the InChIKey of 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?
The InChIKey is LAPJQCOVOJOXOO-ZWKOTPCHSA-N. The full InChI is InChI=1S/C25H30F3N5O3S/c1-16-13-21-19(3-2-9-33(21)31-16)23(34)29-17-4-5-18(35-14-17)6-10-32-11-7-20-22(8-12-32)37-24(30-20)36-15-25(26,27)28/h2-3,9,13,17-18H,4-8,10-12,14-15H2,1H3,(H,29,34)/t17-,18+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 537.61 g/mol, XLogP of 3.81, 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)-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 is sourced from PubChem (CID 138671285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).