6-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-2,4,6-trifluorocyclohexa-2,4-diene-1-sulfonamide

C30H21F5N6O4S — CID 146521067

IUPAC6-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-2,4,6-trifluorocyclohexa-2,4-diene-1-sulfonamide
SMILESCc1cc(Oc2ccccc2F)ncc1-n1ncc(C(=O)c2cc3cc(F)c(C4(F)C=C(F)C=C(F)C4S(N)(=O)=O)cc3[nH]2)c1N
InChIInChI=1S/C30H21F5N6O4S/c1-14-6-26(45-25-5-3-2-4-19(25)32)38-13-24(14)41-29(36)17(12-39-41)27(42)23-8-15-7-20(33)18(10-22(15)40-23)30(35)11-16(31)9-21(34)28(30)46(37,43)44/h2-13,28,40H,36H2,1H3,(H2,37,43,44)
InChIKeyIIVRDVRSYLGZMM-UHFFFAOYSA-N
MW656.59 g/mol
LogP5.48
Rot. Bonds7

About 6-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-2,4,6-trifluorocyclohexa-2,4-diene-1-sulfonamide

6-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-2,4,6-trifluorocyclohexa-2,4-diene-1-sulfonamide (PubChem CID 146521067) has the molecular formula C30H21F5N6O4S and a molecular weight of 656.59 g/mol. Its IUPAC name is 6-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-2,4,6-trifluorocyclohexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound Name6-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-2,4,6-trifluorocyclohexa-2,4-diene-1-sulfonamide
PubChem CID146521067
Molecular FormulaC30H21F5N6O4S
Molecular Weight656.59 g/mol
Exact Mass656.13
IUPAC Name6-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-2,4,6-trifluorocyclohexa-2,4-diene-1-sulfonamide
SMILESCc1cc(Oc2ccccc2F)ncc1-n1ncc(C(=O)c2cc3cc(F)c(C4(F)C=C(F)C=C(F)C4S(N)(=O)=O)cc3[nH]2)c1N
InChIInChI=1S/C30H21F5N6O4S/c1-14-6-26(45-25-5-3-2-4-19(25)32)38-13-24(14)41-29(36)17(12-39-41)27(42)23-8-15-7-20(33)18(10-22(15)40-23)30(35)11-16(31)9-21(34)28(30)46(37,43)44/h2-13,28,40H,36H2,1H3,(H2,37,43,44)
InChIKeyIIVRDVRSYLGZMM-UHFFFAOYSA-N
XLogP5.48
TPSA158.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.59
LogP ≤ 55.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-2,4,6-trifluorocyclohexa-2,4-diene-1-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-2,4,6-trifluorocyclohexa-2,4-diene-1-sulfonamide?
The IUPAC name of 6-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-2,4,6-trifluorocyclohexa-2,4-diene-1-sulfonamide (CID 146521067) is 6-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-2,4,6-trifluorocyclohexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for 6-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-2,4,6-trifluorocyclohexa-2,4-diene-1-sulfonamide?
The canonical SMILES for 6-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-2,4,6-trifluorocyclohexa-2,4-diene-1-sulfonamide is Cc1cc(Oc2ccccc2F)ncc1-n1ncc(C(=O)c2cc3cc(F)c(C4(F)C=C(F)C=C(F)C4S(N)(=O)=O)cc3[nH]2)c1N.
What is the InChIKey of 6-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-2,4,6-trifluorocyclohexa-2,4-diene-1-sulfonamide?
The InChIKey is IIVRDVRSYLGZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21F5N6O4S/c1-14-6-26(45-25-5-3-2-4-19(25)32)38-13-24(14)41-29(36)17(12-39-41)27(42)23-8-15-7-20(33)18(10-22(15)40-23)30(35)11-16(31)9-21(34)28(30)46(37,43)44/h2-13,28,40H,36H2,1H3,(H2,37,43,44).
What are the key properties of 6-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-2,4,6-trifluorocyclohexa-2,4-diene-1-sulfonamide?
6-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-2,4,6-trifluorocyclohexa-2,4-diene-1-sulfonamide has a molecular weight of 656.59 g/mol, XLogP of 5.48, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-2,4,6-trifluorocyclohexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 146521067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).