N-(1,1-dihydroxy-3-methylthiolan-3-yl)-1-(4-fluorophenyl)-3-(6-methoxy-3-pyridinyl)indazole-6-carboxamide

C25H25FN4O4S — CID 134522629

IUPACN-(1,1-dihydroxy-3-methylthiolan-3-yl)-1-(4-fluorophenyl)-3-(6-methoxy-3-pyridinyl)indazole-6-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccc(F)cc3)c3cc(C(=O)NC4(C)CCS(O)(O)C4)ccc23)cn1
InChIInChI=1S/C25H25FN4O4S/c1-25(11-12-35(32,33)15-25)28-24(31)16-3-9-20-21(13-16)30(19-7-5-18(26)6-8-19)29-23(20)17-4-10-22(34-2)27-14-17/h3-10,13-14,32-33H,11-12,15H2,1-2H3,(H,28,31)
InChIKeyLNYRJQOIRUMGOJ-UHFFFAOYSA-N
MW496.56 g/mol
LogP4.88
Rot. Bonds5

About N-(1,1-dihydroxy-3-methylthiolan-3-yl)-1-(4-fluorophenyl)-3-(6-methoxy-3-pyridinyl)indazole-6-carboxamide

N-(1,1-dihydroxy-3-methylthiolan-3-yl)-1-(4-fluorophenyl)-3-(6-methoxy-3-pyridinyl)indazole-6-carboxamide (PubChem CID 134522629) has the molecular formula C25H25FN4O4S and a molecular weight of 496.56 g/mol. Its IUPAC name is N-(1,1-dihydroxy-3-methylthiolan-3-yl)-1-(4-fluorophenyl)-3-(6-methoxy-3-pyridinyl)indazole-6-carboxamide.

Molecular Properties

Compound NameN-(1,1-dihydroxy-3-methylthiolan-3-yl)-1-(4-fluorophenyl)-3-(6-methoxy-3-pyridinyl)indazole-6-carboxamide
PubChem CID134522629
Molecular FormulaC25H25FN4O4S
Molecular Weight496.56 g/mol
Exact Mass496.16
IUPAC NameN-(1,1-dihydroxy-3-methylthiolan-3-yl)-1-(4-fluorophenyl)-3-(6-methoxy-3-pyridinyl)indazole-6-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccc(F)cc3)c3cc(C(=O)NC4(C)CCS(O)(O)C4)ccc23)cn1
InChIInChI=1S/C25H25FN4O4S/c1-25(11-12-35(32,33)15-25)28-24(31)16-3-9-20-21(13-16)30(19-7-5-18(26)6-8-19)29-23(20)17-4-10-22(34-2)27-14-17/h3-10,13-14,32-33H,11-12,15H2,1-2H3,(H,28,31)
InChIKeyLNYRJQOIRUMGOJ-UHFFFAOYSA-N
XLogP4.88
TPSA109.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.56
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(1,1-dihydroxy-3-methylthiolan-3-yl)-1-(4-fluorophenyl)-3-(6-methoxy-3-pyridinyl)indazole-6-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-(1,1-dihydroxy-3-methylthiolan-3-yl)-1-(4-fluorophenyl)-3-(6-methoxy-3-pyridinyl)indazole-6-carboxamide?
The IUPAC name of N-(1,1-dihydroxy-3-methylthiolan-3-yl)-1-(4-fluorophenyl)-3-(6-methoxy-3-pyridinyl)indazole-6-carboxamide (CID 134522629) is N-(1,1-dihydroxy-3-methylthiolan-3-yl)-1-(4-fluorophenyl)-3-(6-methoxy-3-pyridinyl)indazole-6-carboxamide.
What is the SMILES notation for N-(1,1-dihydroxy-3-methylthiolan-3-yl)-1-(4-fluorophenyl)-3-(6-methoxy-3-pyridinyl)indazole-6-carboxamide?
The canonical SMILES for N-(1,1-dihydroxy-3-methylthiolan-3-yl)-1-(4-fluorophenyl)-3-(6-methoxy-3-pyridinyl)indazole-6-carboxamide is COc1ccc(-c2nn(-c3ccc(F)cc3)c3cc(C(=O)NC4(C)CCS(O)(O)C4)ccc23)cn1.
What is the InChIKey of N-(1,1-dihydroxy-3-methylthiolan-3-yl)-1-(4-fluorophenyl)-3-(6-methoxy-3-pyridinyl)indazole-6-carboxamide?
The InChIKey is LNYRJQOIRUMGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O4S/c1-25(11-12-35(32,33)15-25)28-24(31)16-3-9-20-21(13-16)30(19-7-5-18(26)6-8-19)29-23(20)17-4-10-22(34-2)27-14-17/h3-10,13-14,32-33H,11-12,15H2,1-2H3,(H,28,31).
What are the key properties of N-(1,1-dihydroxy-3-methylthiolan-3-yl)-1-(4-fluorophenyl)-3-(6-methoxy-3-pyridinyl)indazole-6-carboxamide?
N-(1,1-dihydroxy-3-methylthiolan-3-yl)-1-(4-fluorophenyl)-3-(6-methoxy-3-pyridinyl)indazole-6-carboxamide has a molecular weight of 496.56 g/mol, XLogP of 4.88, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dihydroxy-3-methylthiolan-3-yl)-1-(4-fluorophenyl)-3-(6-methoxy-3-pyridinyl)indazole-6-carboxamide is sourced from PubChem (CID 134522629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).