N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3-methylpyrazol-1-yl)propanamide

C24H35F2N5O2S — CID 138671441

IUPACN-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccn(CCC(=O)NC2CCC(CCN3CCc4sc(OCC(C)(F)F)nc4C3)CC2)n1
InChIInChI=1S/C24H35F2N5O2S/c1-17-7-13-31(29-17)14-10-22(32)27-19-5-3-18(4-6-19)8-11-30-12-9-21-20(15-30)28-23(34-21)33-16-24(2,25)26/h7,13,18-19H,3-6,8-12,14-16H2,1-2H3,(H,27,32)
InChIKeyQPPUBZPMYCBDJU-UHFFFAOYSA-N
MW495.64 g/mol
LogP4.20
Rot. Bonds10

About N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3-methylpyrazol-1-yl)propanamide

N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3-methylpyrazol-1-yl)propanamide (PubChem CID 138671441) has the molecular formula C24H35F2N5O2S and a molecular weight of 495.64 g/mol. Its IUPAC name is N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3-methylpyrazol-1-yl)propanamide
PubChem CID138671441
Molecular FormulaC24H35F2N5O2S
Molecular Weight495.64 g/mol
Exact Mass495.25
IUPAC NameN-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccn(CCC(=O)NC2CCC(CCN3CCc4sc(OCC(C)(F)F)nc4C3)CC2)n1
InChIInChI=1S/C24H35F2N5O2S/c1-17-7-13-31(29-17)14-10-22(32)27-19-5-3-18(4-6-19)8-11-30-12-9-21-20(15-30)28-23(34-21)33-16-24(2,25)26/h7,13,18-19H,3-6,8-12,14-16H2,1-2H3,(H,27,32)
InChIKeyQPPUBZPMYCBDJU-UHFFFAOYSA-N
XLogP4.20
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.64
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3-methylpyrazol-1-yl)propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3-methylpyrazol-1-yl)propanamide (CID 138671441) is N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3-methylpyrazol-1-yl)propanamide is Cc1ccn(CCC(=O)NC2CCC(CCN3CCc4sc(OCC(C)(F)F)nc4C3)CC2)n1.
What is the InChIKey of N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3-methylpyrazol-1-yl)propanamide?
The InChIKey is QPPUBZPMYCBDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35F2N5O2S/c1-17-7-13-31(29-17)14-10-22(32)27-19-5-3-18(4-6-19)8-11-30-12-9-21-20(15-30)28-23(34-21)33-16-24(2,25)26/h7,13,18-19H,3-6,8-12,14-16H2,1-2H3,(H,27,32).
What are the key properties of N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3-methylpyrazol-1-yl)propanamide?
N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3-methylpyrazol-1-yl)propanamide has a molecular weight of 495.64 g/mol, XLogP of 4.20, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 138671441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).