N-[4-[2-[2-(3,3-difluorocyclobutyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(2-methyl-1,5-dihydropyrazol-4-yl)acetamide

C24H35F2N5O2S — CID 145452093

IUPACN-[4-[2-[2-(3,3-difluorocyclobutyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(2-methyl-1,5-dihydropyrazol-4-yl)acetamide
SMILESCN1C=C(CC(=O)NC2CCC(CCN3CCc4sc(OC5CC(F)(F)C5)nc4C3)CC2)CN1
InChIInChI=1S/C24H35F2N5O2S/c1-30-14-17(13-27-30)10-22(32)28-18-4-2-16(3-5-18)6-8-31-9-7-21-20(15-31)29-23(34-21)33-19-11-24(25,26)12-19/h14,16,18-19,27H,2-13,15H2,1H3,(H,28,32)
InChIKeyRLHQBPGYHJSWOW-UHFFFAOYSA-N
MW495.64 g/mol
LogP3.47
Rot. Bonds8

About N-[4-[2-[2-(3,3-difluorocyclobutyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(2-methyl-1,5-dihydropyrazol-4-yl)acetamide

N-[4-[2-[2-(3,3-difluorocyclobutyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(2-methyl-1,5-dihydropyrazol-4-yl)acetamide (PubChem CID 145452093) has the molecular formula C24H35F2N5O2S and a molecular weight of 495.64 g/mol. Its IUPAC name is N-[4-[2-[2-(3,3-difluorocyclobutyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(2-methyl-1,5-dihydropyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-[2-[2-(3,3-difluorocyclobutyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(2-methyl-1,5-dihydropyrazol-4-yl)acetamide
PubChem CID145452093
Molecular FormulaC24H35F2N5O2S
Molecular Weight495.64 g/mol
Exact Mass495.25
IUPAC NameN-[4-[2-[2-(3,3-difluorocyclobutyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(2-methyl-1,5-dihydropyrazol-4-yl)acetamide
SMILESCN1C=C(CC(=O)NC2CCC(CCN3CCc4sc(OC5CC(F)(F)C5)nc4C3)CC2)CN1
InChIInChI=1S/C24H35F2N5O2S/c1-30-14-17(13-27-30)10-22(32)28-18-4-2-16(3-5-18)6-8-31-9-7-21-20(15-31)29-23(34-21)33-19-11-24(25,26)12-19/h14,16,18-19,27H,2-13,15H2,1H3,(H,28,32)
InChIKeyRLHQBPGYHJSWOW-UHFFFAOYSA-N
XLogP3.47
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.64
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[2-[2-(3,3-difluorocyclobutyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(2-methyl-1,5-dihydropyrazol-4-yl)acetamide with MolForge

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Related Compounds

N-[4-[2-[2-(3,3-difluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 138670446
4-[2-[4-[2-[2-(3,3-difluorocyclobutyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetyl]-2-methyl-3H-isoindol-1-one
CID 161319502
1-[4-[2-[2-(3,3-difluorocyclopentyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)propan-2-one
CID 161190851
N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]propanamide
CID 138671862
N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 138671999
N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(1,3-thiazol-2-yl)acetamide
CID 138670439
N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(1H-imidazol-2-yl)acetamide
CID 138672020
N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(5-fluoro-1-methylpyrazol-4-yl)acetamide
CID 138670887
N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]pentanamide
CID 138670825
N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(1,5-dimethylpyrazol-3-yl)acetamide
CID 138671400
2-(1-methylpyrazol-4-yl)-N-[4-[2-[2-(trifluoromethoxymethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide
CID 138671641
2-(4-cyanophenyl)-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide
CID 138671361

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(3,3-difluorocyclobutyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(2-methyl-1,5-dihydropyrazol-4-yl)acetamide?
The IUPAC name of N-[4-[2-[2-(3,3-difluorocyclobutyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(2-methyl-1,5-dihydropyrazol-4-yl)acetamide (CID 145452093) is N-[4-[2-[2-(3,3-difluorocyclobutyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(2-methyl-1,5-dihydropyrazol-4-yl)acetamide.
What is the SMILES notation for N-[4-[2-[2-(3,3-difluorocyclobutyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(2-methyl-1,5-dihydropyrazol-4-yl)acetamide?
The canonical SMILES for N-[4-[2-[2-(3,3-difluorocyclobutyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(2-methyl-1,5-dihydropyrazol-4-yl)acetamide is CN1C=C(CC(=O)NC2CCC(CCN3CCc4sc(OC5CC(F)(F)C5)nc4C3)CC2)CN1.
What is the InChIKey of N-[4-[2-[2-(3,3-difluorocyclobutyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(2-methyl-1,5-dihydropyrazol-4-yl)acetamide?
The InChIKey is RLHQBPGYHJSWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35F2N5O2S/c1-30-14-17(13-27-30)10-22(32)28-18-4-2-16(3-5-18)6-8-31-9-7-21-20(15-31)29-23(34-21)33-19-11-24(25,26)12-19/h14,16,18-19,27H,2-13,15H2,1H3,(H,28,32).
What are the key properties of N-[4-[2-[2-(3,3-difluorocyclobutyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(2-methyl-1,5-dihydropyrazol-4-yl)acetamide?
N-[4-[2-[2-(3,3-difluorocyclobutyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(2-methyl-1,5-dihydropyrazol-4-yl)acetamide has a molecular weight of 495.64 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(3,3-difluorocyclobutyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(2-methyl-1,5-dihydropyrazol-4-yl)acetamide is sourced from PubChem (CID 145452093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).