potassium;azanide;2-cyclopropyl-N-[2-[7-(3,5-dichlorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-methoxyindazole-5-carboxamide;hydroxide

C29H28Cl2F3KN5O5- — CID 164911398

IUPACpotassium;azanide;2-cyclopropyl-N-[2-[7-(3,5-dichlorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-methoxyindazole-5-carboxamide;hydroxide
SMILESCOc1cc(C(=O)NCC(O)(c2cc3c(c(-c4cc(Cl)cc(Cl)c4)n2)OCC3C)C(F)(F)F)cc2cn(C3CC3)nc12.[K+].[NH2-].[OH-]
InChIInChI=1S/C29H25Cl2F3N4O4.K.H2N.H2O/c1-14-12-42-26-21(14)10-23(36-25(26)15-6-18(30)9-19(31)7-15)28(40,29(32,33)34)13-35-27(39)16-5-17-11-38(20-3-4-20)37-24(17)22(8-16)41-2;;;/h5-11,14,20,40H,3-4,12-13H2,1-2H3,(H,35,39);;2*1H2/q;+1;-1;/p-1
InChIKeySDCYLGNNBQUXTN-UHFFFAOYSA-M
MW693.57 g/mol
LogP3.97
Rot. Bonds7

About potassium;azanide;2-cyclopropyl-N-[2-[7-(3,5-dichlorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-methoxyindazole-5-carboxamide;hydroxide

potassium;azanide;2-cyclopropyl-N-[2-[7-(3,5-dichlorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-methoxyindazole-5-carboxamide;hydroxide (PubChem CID 164911398) has the molecular formula C29H28Cl2F3KN5O5- and a molecular weight of 693.57 g/mol. Its IUPAC name is potassium;azanide;2-cyclopropyl-N-[2-[7-(3,5-dichlorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-methoxyindazole-5-carboxamide;hydroxide.

Molecular Properties

Compound Namepotassium;azanide;2-cyclopropyl-N-[2-[7-(3,5-dichlorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-methoxyindazole-5-carboxamide;hydroxide
PubChem CID164911398
Molecular FormulaC29H28Cl2F3KN5O5-
Molecular Weight693.57 g/mol
Exact Mass692.11
IUPAC Namepotassium;azanide;2-cyclopropyl-N-[2-[7-(3,5-dichlorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-methoxyindazole-5-carboxamide;hydroxide
SMILESCOc1cc(C(=O)NCC(O)(c2cc3c(c(-c4cc(Cl)cc(Cl)c4)n2)OCC3C)C(F)(F)F)cc2cn(C3CC3)nc12.[K+].[NH2-].[OH-]
InChIInChI=1S/C29H25Cl2F3N4O4.K.H2N.H2O/c1-14-12-42-26-21(14)10-23(36-25(26)15-6-18(30)9-19(31)7-15)28(40,29(32,33)34)13-35-27(39)16-5-17-11-38(20-3-4-20)37-24(17)22(8-16)41-2;;;/h5-11,14,20,40H,3-4,12-13H2,1-2H3,(H,35,39);;2*1H2/q;+1;-1;/p-1
InChIKeySDCYLGNNBQUXTN-UHFFFAOYSA-M
XLogP3.97
TPSA162.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500693.57
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze potassium;azanide;2-cyclopropyl-N-[2-[7-(3,5-dichlorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-methoxyindazole-5-carboxamide;hydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of potassium;azanide;2-cyclopropyl-N-[2-[7-(3,5-dichlorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-methoxyindazole-5-carboxamide;hydroxide?
The IUPAC name of potassium;azanide;2-cyclopropyl-N-[2-[7-(3,5-dichlorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-methoxyindazole-5-carboxamide;hydroxide (CID 164911398) is potassium;azanide;2-cyclopropyl-N-[2-[7-(3,5-dichlorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-methoxyindazole-5-carboxamide;hydroxide.
What is the SMILES notation for potassium;azanide;2-cyclopropyl-N-[2-[7-(3,5-dichlorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-methoxyindazole-5-carboxamide;hydroxide?
The canonical SMILES for potassium;azanide;2-cyclopropyl-N-[2-[7-(3,5-dichlorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-methoxyindazole-5-carboxamide;hydroxide is COc1cc(C(=O)NCC(O)(c2cc3c(c(-c4cc(Cl)cc(Cl)c4)n2)OCC3C)C(F)(F)F)cc2cn(C3CC3)nc12.[K+].[NH2-].[OH-].
What is the InChIKey of potassium;azanide;2-cyclopropyl-N-[2-[7-(3,5-dichlorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-methoxyindazole-5-carboxamide;hydroxide?
The InChIKey is SDCYLGNNBQUXTN-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H25Cl2F3N4O4.K.H2N.H2O/c1-14-12-42-26-21(14)10-23(36-25(26)15-6-18(30)9-19(31)7-15)28(40,29(32,33)34)13-35-27(39)16-5-17-11-38(20-3-4-20)37-24(17)22(8-16)41-2;;;/h5-11,14,20,40H,3-4,12-13H2,1-2H3,(H,35,39);;2*1H2/q;+1;-1;/p-1.
What are the key properties of potassium;azanide;2-cyclopropyl-N-[2-[7-(3,5-dichlorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-methoxyindazole-5-carboxamide;hydroxide?
potassium;azanide;2-cyclopropyl-N-[2-[7-(3,5-dichlorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-methoxyindazole-5-carboxamide;hydroxide has a molecular weight of 693.57 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;azanide;2-cyclopropyl-N-[2-[7-(3,5-dichlorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-methoxyindazole-5-carboxamide;hydroxide is sourced from PubChem (CID 164911398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).