[6,6-dimethyl-3-[6-[methyl-[2-(oxan-4-yl)propanoyl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]-5,7-dihydro-4H-indazol-1-yl] thiohypofluorite

C24H31FN6O2S — CID 164532294

IUPAC[6,6-dimethyl-3-[6-[methyl-[2-(oxan-4-yl)propanoyl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]-5,7-dihydro-4H-indazol-1-yl] thiohypofluorite
SMILESCC(C(=O)N(C)c1cnc2nc(-c3nn(SF)c4c3CCC(C)(C)C4)[nH]c2c1)C1CCOCC1
InChIInChI=1S/C24H31FN6O2S/c1-14(15-6-9-33-10-7-15)23(32)30(4)16-11-18-21(26-13-16)28-22(27-18)20-17-5-8-24(2,3)12-19(17)31(29-20)34-25/h11,13-15H,5-10,12H2,1-4H3,(H,26,27,28)
InChIKeyRPSKHZAWFVMPBN-UHFFFAOYSA-N
MW486.62 g/mol
LogP4.74
Rot. Bonds5

About [6,6-dimethyl-3-[6-[methyl-[2-(oxan-4-yl)propanoyl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]-5,7-dihydro-4H-indazol-1-yl] thiohypofluorite

[6,6-dimethyl-3-[6-[methyl-[2-(oxan-4-yl)propanoyl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]-5,7-dihydro-4H-indazol-1-yl] thiohypofluorite (PubChem CID 164532294) has the molecular formula C24H31FN6O2S and a molecular weight of 486.62 g/mol. Its IUPAC name is [6,6-dimethyl-3-[6-[methyl-[2-(oxan-4-yl)propanoyl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]-5,7-dihydro-4H-indazol-1-yl] thiohypofluorite.

Molecular Properties

Compound Name[6,6-dimethyl-3-[6-[methyl-[2-(oxan-4-yl)propanoyl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]-5,7-dihydro-4H-indazol-1-yl] thiohypofluorite
PubChem CID164532294
Molecular FormulaC24H31FN6O2S
Molecular Weight486.62 g/mol
Exact Mass486.22
IUPAC Name[6,6-dimethyl-3-[6-[methyl-[2-(oxan-4-yl)propanoyl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]-5,7-dihydro-4H-indazol-1-yl] thiohypofluorite
SMILESCC(C(=O)N(C)c1cnc2nc(-c3nn(SF)c4c3CCC(C)(C)C4)[nH]c2c1)C1CCOCC1
InChIInChI=1S/C24H31FN6O2S/c1-14(15-6-9-33-10-7-15)23(32)30(4)16-11-18-21(26-13-16)28-22(27-18)20-17-5-8-24(2,3)12-19(17)31(29-20)34-25/h11,13-15H,5-10,12H2,1-4H3,(H,26,27,28)
InChIKeyRPSKHZAWFVMPBN-UHFFFAOYSA-N
XLogP4.74
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [6,6-dimethyl-3-[6-[methyl-[2-(oxan-4-yl)propanoyl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]-5,7-dihydro-4H-indazol-1-yl] thiohypofluorite with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6,6-dimethyl-3-[6-[methyl-[2-(oxan-4-yl)propanoyl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]-5,7-dihydro-4H-indazol-1-yl] thiohypofluorite?
The IUPAC name of [6,6-dimethyl-3-[6-[methyl-[2-(oxan-4-yl)propanoyl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]-5,7-dihydro-4H-indazol-1-yl] thiohypofluorite (CID 164532294) is [6,6-dimethyl-3-[6-[methyl-[2-(oxan-4-yl)propanoyl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]-5,7-dihydro-4H-indazol-1-yl] thiohypofluorite.
What is the SMILES notation for [6,6-dimethyl-3-[6-[methyl-[2-(oxan-4-yl)propanoyl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]-5,7-dihydro-4H-indazol-1-yl] thiohypofluorite?
The canonical SMILES for [6,6-dimethyl-3-[6-[methyl-[2-(oxan-4-yl)propanoyl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]-5,7-dihydro-4H-indazol-1-yl] thiohypofluorite is CC(C(=O)N(C)c1cnc2nc(-c3nn(SF)c4c3CCC(C)(C)C4)[nH]c2c1)C1CCOCC1.
What is the InChIKey of [6,6-dimethyl-3-[6-[methyl-[2-(oxan-4-yl)propanoyl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]-5,7-dihydro-4H-indazol-1-yl] thiohypofluorite?
The InChIKey is RPSKHZAWFVMPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN6O2S/c1-14(15-6-9-33-10-7-15)23(32)30(4)16-11-18-21(26-13-16)28-22(27-18)20-17-5-8-24(2,3)12-19(17)31(29-20)34-25/h11,13-15H,5-10,12H2,1-4H3,(H,26,27,28).
What are the key properties of [6,6-dimethyl-3-[6-[methyl-[2-(oxan-4-yl)propanoyl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]-5,7-dihydro-4H-indazol-1-yl] thiohypofluorite?
[6,6-dimethyl-3-[6-[methyl-[2-(oxan-4-yl)propanoyl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]-5,7-dihydro-4H-indazol-1-yl] thiohypofluorite has a molecular weight of 486.62 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6,6-dimethyl-3-[6-[methyl-[2-(oxan-4-yl)propanoyl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]-5,7-dihydro-4H-indazol-1-yl] thiohypofluorite is sourced from PubChem (CID 164532294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).