1-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]indazole-3-carboxamide

C18H20N4O3S — CID 91763749

IUPAC1-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]indazole-3-carboxamide
SMILESCn1nc(C(=O)N[C@@H]2COCC[C@@H]2OCc2cscn2)c2ccccc21
InChIInChI=1S/C18H20N4O3S/c1-22-15-5-3-2-4-13(15)17(21-22)18(23)20-14-9-24-7-6-16(14)25-8-12-10-26-11-19-12/h2-5,10-11,14,16H,6-9H2,1H3,(H,20,23)/t14-,16+/m1/s1
InChIKeyJAQCRGQWCKGGSZ-ZBFHGGJFSA-N
MW372.45 g/mol
LogP2.13
Rot. Bonds5

About 1-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]indazole-3-carboxamide

1-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]indazole-3-carboxamide (PubChem CID 91763749) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 1-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]indazole-3-carboxamide
PubChem CID91763749
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name1-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]indazole-3-carboxamide
SMILESCn1nc(C(=O)N[C@@H]2COCC[C@@H]2OCc2cscn2)c2ccccc21
InChIInChI=1S/C18H20N4O3S/c1-22-15-5-3-2-4-13(15)17(21-22)18(23)20-14-9-24-7-6-16(14)25-8-12-10-26-11-19-12/h2-5,10-11,14,16H,6-9H2,1H3,(H,20,23)/t14-,16+/m1/s1
InChIKeyJAQCRGQWCKGGSZ-ZBFHGGJFSA-N
XLogP2.13
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]indazole-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-5-yl)indazole-3-carboxamide
CID 126842502
5-fluoro-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-5-yl)indazole-3-carboxamide
CID 132470946
2-(1H-pyrazol-1-yl)-N-[trans-3-(1,3-thiazol-4-ylmethoxy)tetrahydro-2H-pyran-4-yl]benzamide
CID 91771077
1,5-anhydro-4-[(1,3-benzothiazol-5-ylcarbonyl)amino]-2,4-dideoxy-3-O-(1,3-thiazol-4-ylmethyl)-D-erythro-pentitol
CID 91762488
N-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1H-indazole-3-carboxamide
CID 96105354
N-[[3-[5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1-methylindazole-3-carboxamide
CID 44608471
N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-1-methylindazole-3-carboxamide
CID 45254391
N-[2-[[2-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-2-oxoethyl]amino]ethyl]-1-methylindazole-3-carboxamide
CID 67450764
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
N-[(3S,6R)-6-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]oxan-3-yl]-2-methylindazole-4-carboxamide
CID 138672052
1-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]indazole-3-carboxamide
CID 172675100
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-(1H-indazole-3-carbonylamino)propanoate
CID 56422884

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]indazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]indazole-3-carboxamide (CID 91763749) is 1-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]indazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]indazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]indazole-3-carboxamide is Cn1nc(C(=O)N[C@@H]2COCC[C@@H]2OCc2cscn2)c2ccccc21.
What is the InChIKey of 1-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]indazole-3-carboxamide?
The InChIKey is JAQCRGQWCKGGSZ-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-22-15-5-3-2-4-13(15)17(21-22)18(23)20-14-9-24-7-6-16(14)25-8-12-10-26-11-19-12/h2-5,10-11,14,16H,6-9H2,1H3,(H,20,23)/t14-,16+/m1/s1.
What are the key properties of 1-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]indazole-3-carboxamide?
1-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]indazole-3-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]indazole-3-carboxamide is sourced from PubChem (CID 91763749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).