3-amino-N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[(5,5-dimethyloxolan-3-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide

C87H101F2N17O12 — CID 157079810

IUPAC3-amino-N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[(5,5-dimethyloxolan-3-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide
SMILESCn1nc(OCC2CCOC(C)(C)C2)c2ccc(NC(=O)c3ccc(F)cn3)cc21.Cn1nc(OCC2CCOC(C)(C)C2)c2ccc(NC(=O)c3ccccn3)cc21.Cn1nc(OCC2CCOC(C)(C)C2)c2ccc(NC(=O)c3ncccc3N)cc21.Cn1nc(OCC2COC(C)(C)C2)c2ccc(NC(=O)c3ccc(F)cn3)cc21
InChIInChI=1S/C22H25FN4O3.C22H27N5O3.C22H26N4O3.C21H23FN4O3/c1-22(2)11-14(8-9-30-22)13-29-21-17-6-5-16(10-19(17)27(3)26-21)25-20(28)18-7-4-15(23)12-24-18;1-22(2)12-14(8-10-30-22)13-29-21-16-7-6-15(11-18(16)27(3)26-21)25-20(28)19-17(23)5-4-9-24-19;1-22(2)13-15(9-11-29-22)14-28-21-17-8-7-16(12-19(17)26(3)25-21)24-20(27)18-6-4-5-10-23-18;1-21(2)9-13(12-29-21)11-28-20-16-6-5-15(8-18(16)26(3)25-20)24-19(27)17-7-4-14(22)10-23-17/h4-7,10,12,14H,8-9,11,13H2,1-3H3,(H,25,28);4-7,9,11,14H,8,10,12-13,23H2,1-3H3,(H,25,28);4-8,10,12,15H,9,11,13-14H2,1-3H3,(H,24,27);4-8,10,13H,9,11-12H2,1-3H3,(H,24,27)
InChIKeyADKCFNBWSWMARR-UHFFFAOYSA-N
MW1614.87 g/mol
LogP14.69
Rot. Bonds20

About 3-amino-N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[(5,5-dimethyloxolan-3-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide

3-amino-N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[(5,5-dimethyloxolan-3-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide (PubChem CID 157079810) has the molecular formula C87H101F2N17O12 and a molecular weight of 1614.87 g/mol. Its IUPAC name is 3-amino-N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[(5,5-dimethyloxolan-3-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[(5,5-dimethyloxolan-3-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide
PubChem CID157079810
Molecular FormulaC87H101F2N17O12
Molecular Weight1614.87 g/mol
Exact Mass1613.78
IUPAC Name3-amino-N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[(5,5-dimethyloxolan-3-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide
SMILESCn1nc(OCC2CCOC(C)(C)C2)c2ccc(NC(=O)c3ccc(F)cn3)cc21.Cn1nc(OCC2CCOC(C)(C)C2)c2ccc(NC(=O)c3ccccn3)cc21.Cn1nc(OCC2CCOC(C)(C)C2)c2ccc(NC(=O)c3ncccc3N)cc21.Cn1nc(OCC2COC(C)(C)C2)c2ccc(NC(=O)c3ccc(F)cn3)cc21
InChIInChI=1S/C22H25FN4O3.C22H27N5O3.C22H26N4O3.C21H23FN4O3/c1-22(2)11-14(8-9-30-22)13-29-21-17-6-5-16(10-19(17)27(3)26-21)25-20(28)18-7-4-15(23)12-24-18;1-22(2)12-14(8-10-30-22)13-29-21-16-7-6-15(11-18(16)27(3)26-21)25-20(28)19-17(23)5-4-9-24-19;1-22(2)13-15(9-11-29-22)14-28-21-17-8-7-16(12-19(17)26(3)25-21)24-20(27)18-6-4-5-10-23-18;1-21(2)9-13(12-29-21)11-28-20-16-6-5-15(8-18(16)26(3)25-20)24-19(27)17-7-4-14(22)10-23-17/h4-7,10,12,14H,8-9,11,13H2,1-3H3,(H,25,28);4-7,9,11,14H,8,10,12-13,23H2,1-3H3,(H,25,28);4-8,10,12,15H,9,11,13-14H2,1-3H3,(H,24,27);4-8,10,13H,9,11-12H2,1-3H3,(H,24,27)
InChIKeyADKCFNBWSWMARR-UHFFFAOYSA-N
XLogP14.69
TPSA339.10 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds20
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001614.87
LogP ≤ 514.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze 3-amino-N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[(5,5-dimethyloxolan-3-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[(5,5-dimethyloxolan-3-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[(5,5-dimethyloxolan-3-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide (CID 157079810) is 3-amino-N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[(5,5-dimethyloxolan-3-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[(5,5-dimethyloxolan-3-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[(5,5-dimethyloxolan-3-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide is Cn1nc(OCC2CCOC(C)(C)C2)c2ccc(NC(=O)c3ccc(F)cn3)cc21.Cn1nc(OCC2CCOC(C)(C)C2)c2ccc(NC(=O)c3ccccn3)cc21.Cn1nc(OCC2CCOC(C)(C)C2)c2ccc(NC(=O)c3ncccc3N)cc21.Cn1nc(OCC2COC(C)(C)C2)c2ccc(NC(=O)c3ccc(F)cn3)cc21.
What is the InChIKey of 3-amino-N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[(5,5-dimethyloxolan-3-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide?
The InChIKey is ADKCFNBWSWMARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O3.C22H27N5O3.C22H26N4O3.C21H23FN4O3/c1-22(2)11-14(8-9-30-22)13-29-21-17-6-5-16(10-19(17)27(3)26-21)25-20(28)18-7-4-15(23)12-24-18;1-22(2)12-14(8-10-30-22)13-29-21-16-7-6-15(11-18(16)27(3)26-21)25-20(28)19-17(23)5-4-9-24-19;1-22(2)13-15(9-11-29-22)14-28-21-17-8-7-16(12-19(17)26(3)25-21)24-20(27)18-6-4-5-10-23-18;1-21(2)9-13(12-29-21)11-28-20-16-6-5-15(8-18(16)26(3)25-20)24-19(27)17-7-4-14(22)10-23-17/h4-7,10,12,14H,8-9,11,13H2,1-3H3,(H,25,28);4-7,9,11,14H,8,10,12-13,23H2,1-3H3,(H,25,28);4-8,10,12,15H,9,11,13-14H2,1-3H3,(H,24,27);4-8,10,13H,9,11-12H2,1-3H3,(H,24,27).
What are the key properties of 3-amino-N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[(5,5-dimethyloxolan-3-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide?
3-amino-N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[(5,5-dimethyloxolan-3-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide has a molecular weight of 1614.87 g/mol, XLogP of 14.69, 20 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[(5,5-dimethyloxolan-3-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 157079810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).