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

C27H34FN5OS — CID 155347294

IUPACN-[4-[2-[2-(3-fluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide
SMILESCn1cc2c(C(=O)NC3CCC(CCN4CCc5sc(C6CC(F)C6)nc5C4)CC3)cccc2n1
InChIInChI=1S/C27H34FN5OS/c1-32-15-22-21(3-2-4-23(22)31-32)26(34)29-20-7-5-17(6-8-20)9-11-33-12-10-25-24(16-33)30-27(35-25)18-13-19(28)14-18/h2-4,15,17-20H,5-14,16H2,1H3,(H,29,34)
InChIKeyIWALVTABIRHYMJ-UHFFFAOYSA-N
MW495.67 g/mol
LogP4.98
Rot. Bonds6

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

N-[4-[2-[2-(3-fluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide (PubChem CID 155347294) has the molecular formula C27H34FN5OS and a molecular weight of 495.67 g/mol. Its IUPAC name is N-[4-[2-[2-(3-fluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[2-(3-fluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide
PubChem CID155347294
Molecular FormulaC27H34FN5OS
Molecular Weight495.67 g/mol
Exact Mass495.25
IUPAC NameN-[4-[2-[2-(3-fluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide
SMILESCn1cc2c(C(=O)NC3CCC(CCN4CCc5sc(C6CC(F)C6)nc5C4)CC3)cccc2n1
InChIInChI=1S/C27H34FN5OS/c1-32-15-22-21(3-2-4-23(22)31-32)26(34)29-20-7-5-17(6-8-20)9-11-33-12-10-25-24(16-33)30-27(35-25)18-13-19(28)14-18/h2-4,15,17-20H,5-14,16H2,1H3,(H,29,34)
InChIKeyIWALVTABIRHYMJ-UHFFFAOYSA-N
XLogP4.98
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.67
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(3-fluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide?
The IUPAC name of N-[4-[2-[2-(3-fluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide (CID 155347294) is N-[4-[2-[2-(3-fluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide.
What is the SMILES notation for N-[4-[2-[2-(3-fluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide?
The canonical SMILES for N-[4-[2-[2-(3-fluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide is Cn1cc2c(C(=O)NC3CCC(CCN4CCc5sc(C6CC(F)C6)nc5C4)CC3)cccc2n1.
What is the InChIKey of N-[4-[2-[2-(3-fluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide?
The InChIKey is IWALVTABIRHYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN5OS/c1-32-15-22-21(3-2-4-23(22)31-32)26(34)29-20-7-5-17(6-8-20)9-11-33-12-10-25-24(16-33)30-27(35-25)18-13-19(28)14-18/h2-4,15,17-20H,5-14,16H2,1H3,(H,29,34).
What are the key properties of N-[4-[2-[2-(3-fluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide?
N-[4-[2-[2-(3-fluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide has a molecular weight of 495.67 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(3-fluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide is sourced from PubChem (CID 155347294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).