N-[6-fluoro-4-[2-[[4-[(1S,2S)-2-fluorocyclopropyl]-2H-oxet-2-yl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-5-methyl-1H-indazol-7-yl]-N-methylacetamide

C23H20F2N6O2S — CID 163221429

IUPACN-[6-fluoro-4-[2-[[4-[(1S,2S)-2-fluorocyclopropyl]-2H-oxet-2-yl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-5-methyl-1H-indazol-7-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1c(F)c(C)c(-c2ccc3nc(NC4C=C([C@@H]5C[C@@H]5F)O4)sc3n2)c2cn[nH]c12
InChIInChI=1S/C23H20F2N6O2S/c1-9-18(12-8-26-30-20(12)21(19(9)25)31(3)10(2)32)14-4-5-15-22(27-14)34-23(28-15)29-17-7-16(33-17)11-6-13(11)24/h4-5,7-8,11,13,17H,6H2,1-3H3,(H,26,30)(H,28,29)/t11-,13+,17?/m1/s1
InChIKeyONKCMXNXOKNOSA-HWURVSIFSA-N
MW482.52 g/mol
LogP4.67
Rot. Bonds5

About N-[6-fluoro-4-[2-[[4-[(1S,2S)-2-fluorocyclopropyl]-2H-oxet-2-yl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-5-methyl-1H-indazol-7-yl]-N-methylacetamide

N-[6-fluoro-4-[2-[[4-[(1S,2S)-2-fluorocyclopropyl]-2H-oxet-2-yl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-5-methyl-1H-indazol-7-yl]-N-methylacetamide (PubChem CID 163221429) has the molecular formula C23H20F2N6O2S and a molecular weight of 482.52 g/mol. Its IUPAC name is N-[6-fluoro-4-[2-[[4-[(1S,2S)-2-fluorocyclopropyl]-2H-oxet-2-yl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-5-methyl-1H-indazol-7-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[6-fluoro-4-[2-[[4-[(1S,2S)-2-fluorocyclopropyl]-2H-oxet-2-yl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-5-methyl-1H-indazol-7-yl]-N-methylacetamide
PubChem CID163221429
Molecular FormulaC23H20F2N6O2S
Molecular Weight482.52 g/mol
Exact Mass482.13
IUPAC NameN-[6-fluoro-4-[2-[[4-[(1S,2S)-2-fluorocyclopropyl]-2H-oxet-2-yl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-5-methyl-1H-indazol-7-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1c(F)c(C)c(-c2ccc3nc(NC4C=C([C@@H]5C[C@@H]5F)O4)sc3n2)c2cn[nH]c12
InChIInChI=1S/C23H20F2N6O2S/c1-9-18(12-8-26-30-20(12)21(19(9)25)31(3)10(2)32)14-4-5-15-22(27-14)34-23(28-15)29-17-7-16(33-17)11-6-13(11)24/h4-5,7-8,11,13,17H,6H2,1-3H3,(H,26,30)(H,28,29)/t11-,13+,17?/m1/s1
InChIKeyONKCMXNXOKNOSA-HWURVSIFSA-N
XLogP4.67
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[6-fluoro-4-[2-[[4-[(1S,2S)-2-fluorocyclopropyl]-2H-oxet-2-yl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-5-methyl-1H-indazol-7-yl]-N-methylacetamide 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-[6-fluoro-4-[2-[[4-[(1S,2S)-2-fluorocyclopropyl]-2H-oxet-2-yl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-5-methyl-1H-indazol-7-yl]-N-methylacetamide?
The IUPAC name of N-[6-fluoro-4-[2-[[4-[(1S,2S)-2-fluorocyclopropyl]-2H-oxet-2-yl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-5-methyl-1H-indazol-7-yl]-N-methylacetamide (CID 163221429) is N-[6-fluoro-4-[2-[[4-[(1S,2S)-2-fluorocyclopropyl]-2H-oxet-2-yl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-5-methyl-1H-indazol-7-yl]-N-methylacetamide.
What is the SMILES notation for N-[6-fluoro-4-[2-[[4-[(1S,2S)-2-fluorocyclopropyl]-2H-oxet-2-yl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-5-methyl-1H-indazol-7-yl]-N-methylacetamide?
The canonical SMILES for N-[6-fluoro-4-[2-[[4-[(1S,2S)-2-fluorocyclopropyl]-2H-oxet-2-yl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-5-methyl-1H-indazol-7-yl]-N-methylacetamide is CC(=O)N(C)c1c(F)c(C)c(-c2ccc3nc(NC4C=C([C@@H]5C[C@@H]5F)O4)sc3n2)c2cn[nH]c12.
What is the InChIKey of N-[6-fluoro-4-[2-[[4-[(1S,2S)-2-fluorocyclopropyl]-2H-oxet-2-yl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-5-methyl-1H-indazol-7-yl]-N-methylacetamide?
The InChIKey is ONKCMXNXOKNOSA-HWURVSIFSA-N. The full InChI is InChI=1S/C23H20F2N6O2S/c1-9-18(12-8-26-30-20(12)21(19(9)25)31(3)10(2)32)14-4-5-15-22(27-14)34-23(28-15)29-17-7-16(33-17)11-6-13(11)24/h4-5,7-8,11,13,17H,6H2,1-3H3,(H,26,30)(H,28,29)/t11-,13+,17?/m1/s1.
What are the key properties of N-[6-fluoro-4-[2-[[4-[(1S,2S)-2-fluorocyclopropyl]-2H-oxet-2-yl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-5-methyl-1H-indazol-7-yl]-N-methylacetamide?
N-[6-fluoro-4-[2-[[4-[(1S,2S)-2-fluorocyclopropyl]-2H-oxet-2-yl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-5-methyl-1H-indazol-7-yl]-N-methylacetamide has a molecular weight of 482.52 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-fluoro-4-[2-[[4-[(1S,2S)-2-fluorocyclopropyl]-2H-oxet-2-yl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-5-methyl-1H-indazol-7-yl]-N-methylacetamide is sourced from PubChem (CID 163221429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).