N-[2-[5-amino-1-[6-(2,5-dichlorophenoxy)-2,4-dimethyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]methanesulfonamide

C26H21Cl2FN6O4S — CID 146258217

About N-[2-[5-amino-1-[6-(2,5-dichlorophenoxy)-2,4-dimethyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]methanesulfonamide

N-[2-[5-amino-1-[6-(2,5-dichlorophenoxy)-2,4-dimethyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]methanesulfonamide (PubChem CID 146258217) has the molecular formula C26H21Cl2FN6O4S and a molecular weight of 603.46 g/mol. Its IUPAC name is N-[2-[5-amino-1-[6-(2,5-dichlorophenoxy)-2,4-dimethyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[5-amino-1-[6-(2,5-dichlorophenoxy)-2,4-dimethyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]methanesulfonamide
• PubChem CID: 146258217
• Molecular Formula: C26H21Cl2FN6O4S
• Molecular Weight: 603.46 g/mol
• Exact Mass: 602.07
• IUPAC Name: N-[2-[5-amino-1-[6-(2,5-dichlorophenoxy)-2,4-dimethyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]methanesulfonamide
• SMILES: Cc1cc(Oc2cc(Cl)ccc2Cl)nc(C)c1-n1ncc(C(=O)c2cc3cc(F)c(NS(C)(=O)=O)cc3[nH]2)c1N
• InChI: InChI=1S/C26H21Cl2FN6O4S/c1-12-6-23(39-22-9-15(27)4-5-17(22)28)32-13(2)24(12)35-26(30)16(11-31-35)25(36)21-8-14-7-18(29)20(10-19(14)33-21)34-40(3,37)38/h4-11,33-34H,30H2,1-3H3
• InChIKey: ASRYLONXKPPFDC-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 144.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.46
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-amino-1-[6-(2,5-dichlorophenoxy)-2,4-dimethyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]methanesulfonamide?

The IUPAC name of N-[2-[5-amino-1-[6-(2,5-dichlorophenoxy)-2,4-dimethyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]methanesulfonamide (CID 146258217) is N-[2-[5-amino-1-[6-(2,5-dichlorophenoxy)-2,4-dimethyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]methanesulfonamide.

What is the SMILES notation for N-[2-[5-amino-1-[6-(2,5-dichlorophenoxy)-2,4-dimethyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]methanesulfonamide?

The canonical SMILES for N-[2-[5-amino-1-[6-(2,5-dichlorophenoxy)-2,4-dimethyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]methanesulfonamide is Cc1cc(Oc2cc(Cl)ccc2Cl)nc(C)c1-n1ncc(C(=O)c2cc3cc(F)c(NS(C)(=O)=O)cc3[nH]2)c1N.

What is the InChIKey of N-[2-[5-amino-1-[6-(2,5-dichlorophenoxy)-2,4-dimethyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]methanesulfonamide?

The InChIKey is ASRYLONXKPPFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21Cl2FN6O4S/c1-12-6-23(39-22-9-15(27)4-5-17(22)28)32-13(2)24(12)35-26(30)16(11-31-35)25(36)21-8-14-7-18(29)20(10-19(14)33-21)34-40(3,37)38/h4-11,33-34H,30H2,1-3H3.

What are the key properties of N-[2-[5-amino-1-[6-(2,5-dichlorophenoxy)-2,4-dimethyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]methanesulfonamide?

N-[2-[5-amino-1-[6-(2,5-dichlorophenoxy)-2,4-dimethyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]methanesulfonamide has a molecular weight of 603.46 g/mol, XLogP of 5.79, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[5-amino-1-[6-(2,5-dichlorophenoxy)-2,4-dimethyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]methanesulfonamide is sourced from PubChem (CID 146258217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).