2,2-difluoro-N-[3-(3H-indol-2-yl)-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(2-methylmorpholin-4-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(4-methylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]cyclopropane-1-carboxamide

C88H80F8N22O6 — CID 157291072

IUPAC2,2-difluoro-N-[3-(3H-indol-2-yl)-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(2-methylmorpholin-4-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(4-methylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]cyclopropane-1-carboxamide
SMILESCC1CCN(c2ccc3nc(-c4n[nH]c5ccc(NC(=O)C6CC6(F)F)cc45)[nH]c3c2)CC1.CC1CN(c2ccc3nc(-c4n[nH]c5ccc(NC(=O)C6CC6(F)F)cc45)[nH]c3c2)CCO1.O=C(Nc1ccc2[nH]nc(-c3nc4ccc(N5CCOCC5)cc4[nH]3)c2c1)C1CC1(F)F.O=C(Nc1ccc2[nH]nc(C3=Nc4ccccc4C3)c2c1)C1CC1(F)F
InChIInChI=1S/C24H24F2N6O.C23H22F2N6O2.C22H20F2N6O2.C19H14F2N4O/c1-13-6-8-32(9-7-13)15-3-5-19-20(11-15)29-22(28-19)21-16-10-14(2-4-18(16)30-31-21)27-23(33)17-12-24(17,25)26;1-12-11-31(6-7-33-12)14-3-5-18-19(9-14)28-21(27-18)20-15-8-13(2-4-17(15)29-30-20)26-22(32)16-10-23(16,24)25;23-22(24)11-15(22)21(31)25-12-1-3-16-14(9-12)19(29-28-16)20-26-17-4-2-13(10-18(17)27-20)30-5-7-32-8-6-30;20-19(21)9-13(19)18(26)22-11-5-6-15-12(8-11)17(25-24-15)16-7-10-3-1-2-4-14(10)23-16/h2-5,10-11,13,17H,6-9,12H2,1H3,(H,27,33)(H,28,29)(H,30,31);2-5,8-9,12,16H,6-7,10-11H2,1H3,(H,26,32)(H,27,28)(H,29,30);1-4,9-10,15H,5-8,11H2,(H,25,31)(H,26,27)(H,28,29);1-6,8,13H,7,9H2,(H,22,26)(H,24,25)
InChIKeyBAURLEWPZWFRQA-UHFFFAOYSA-N
MW1693.74 g/mol
LogP16.23
Rot. Bonds15

About 2,2-difluoro-N-[3-(3H-indol-2-yl)-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(2-methylmorpholin-4-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(4-methylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]cyclopropane-1-carboxamide

2,2-difluoro-N-[3-(3H-indol-2-yl)-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(2-methylmorpholin-4-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(4-methylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]cyclopropane-1-carboxamide (PubChem CID 157291072) has the molecular formula C88H80F8N22O6 and a molecular weight of 1693.74 g/mol. Its IUPAC name is 2,2-difluoro-N-[3-(3H-indol-2-yl)-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(2-methylmorpholin-4-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(4-methylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-difluoro-N-[3-(3H-indol-2-yl)-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(2-methylmorpholin-4-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(4-methylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]cyclopropane-1-carboxamide
PubChem CID157291072
Molecular FormulaC88H80F8N22O6
Molecular Weight1693.74 g/mol
Exact Mass1692.65
IUPAC Name2,2-difluoro-N-[3-(3H-indol-2-yl)-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(2-methylmorpholin-4-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(4-methylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]cyclopropane-1-carboxamide
SMILESCC1CCN(c2ccc3nc(-c4n[nH]c5ccc(NC(=O)C6CC6(F)F)cc45)[nH]c3c2)CC1.CC1CN(c2ccc3nc(-c4n[nH]c5ccc(NC(=O)C6CC6(F)F)cc45)[nH]c3c2)CCO1.O=C(Nc1ccc2[nH]nc(-c3nc4ccc(N5CCOCC5)cc4[nH]3)c2c1)C1CC1(F)F.O=C(Nc1ccc2[nH]nc(C3=Nc4ccccc4C3)c2c1)C1CC1(F)F
InChIInChI=1S/C24H24F2N6O.C23H22F2N6O2.C22H20F2N6O2.C19H14F2N4O/c1-13-6-8-32(9-7-13)15-3-5-19-20(11-15)29-22(28-19)21-16-10-14(2-4-18(16)30-31-21)27-23(33)17-12-24(17,25)26;1-12-11-31(6-7-33-12)14-3-5-18-19(9-14)28-21(27-18)20-15-8-13(2-4-17(15)29-30-20)26-22(32)16-10-23(16,24)25;23-22(24)11-15(22)21(31)25-12-1-3-16-14(9-12)19(29-28-16)20-26-17-4-2-13(10-18(17)27-20)30-5-7-32-8-6-30;20-19(21)9-13(19)18(26)22-11-5-6-15-12(8-11)17(25-24-15)16-7-10-3-1-2-4-14(10)23-16/h2-5,10-11,13,17H,6-9,12H2,1H3,(H,27,33)(H,28,29)(H,30,31);2-5,8-9,12,16H,6-7,10-11H2,1H3,(H,26,32)(H,27,28)(H,29,30);1-4,9-10,15H,5-8,11H2,(H,25,31)(H,26,27)(H,28,29);1-6,8,13H,7,9H2,(H,22,26)(H,24,25)
InChIKeyBAURLEWPZWFRQA-UHFFFAOYSA-N
XLogP16.23
TPSA357.70 Ų
H-Bond Donors11
H-Bond Acceptors17
Rotatable Bonds15
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001693.74
LogP ≤ 516.23
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1017

Analyze 2,2-difluoro-N-[3-(3H-indol-2-yl)-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(2-methylmorpholin-4-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(4-methylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[3-(3H-indol-2-yl)-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(2-methylmorpholin-4-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(4-methylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-difluoro-N-[3-(3H-indol-2-yl)-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(2-methylmorpholin-4-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(4-methylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]cyclopropane-1-carboxamide (CID 157291072) is 2,2-difluoro-N-[3-(3H-indol-2-yl)-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(2-methylmorpholin-4-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(4-methylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-difluoro-N-[3-(3H-indol-2-yl)-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(2-methylmorpholin-4-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(4-methylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-difluoro-N-[3-(3H-indol-2-yl)-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(2-methylmorpholin-4-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(4-methylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]cyclopropane-1-carboxamide is CC1CCN(c2ccc3nc(-c4n[nH]c5ccc(NC(=O)C6CC6(F)F)cc45)[nH]c3c2)CC1.CC1CN(c2ccc3nc(-c4n[nH]c5ccc(NC(=O)C6CC6(F)F)cc45)[nH]c3c2)CCO1.O=C(Nc1ccc2[nH]nc(-c3nc4ccc(N5CCOCC5)cc4[nH]3)c2c1)C1CC1(F)F.O=C(Nc1ccc2[nH]nc(C3=Nc4ccccc4C3)c2c1)C1CC1(F)F.
What is the InChIKey of 2,2-difluoro-N-[3-(3H-indol-2-yl)-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(2-methylmorpholin-4-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(4-methylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]cyclopropane-1-carboxamide?
The InChIKey is BAURLEWPZWFRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N6O.C23H22F2N6O2.C22H20F2N6O2.C19H14F2N4O/c1-13-6-8-32(9-7-13)15-3-5-19-20(11-15)29-22(28-19)21-16-10-14(2-4-18(16)30-31-21)27-23(33)17-12-24(17,25)26;1-12-11-31(6-7-33-12)14-3-5-18-19(9-14)28-21(27-18)20-15-8-13(2-4-17(15)29-30-20)26-22(32)16-10-23(16,24)25;23-22(24)11-15(22)21(31)25-12-1-3-16-14(9-12)19(29-28-16)20-26-17-4-2-13(10-18(17)27-20)30-5-7-32-8-6-30;20-19(21)9-13(19)18(26)22-11-5-6-15-12(8-11)17(25-24-15)16-7-10-3-1-2-4-14(10)23-16/h2-5,10-11,13,17H,6-9,12H2,1H3,(H,27,33)(H,28,29)(H,30,31);2-5,8-9,12,16H,6-7,10-11H2,1H3,(H,26,32)(H,27,28)(H,29,30);1-4,9-10,15H,5-8,11H2,(H,25,31)(H,26,27)(H,28,29);1-6,8,13H,7,9H2,(H,22,26)(H,24,25).
What are the key properties of 2,2-difluoro-N-[3-(3H-indol-2-yl)-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(2-methylmorpholin-4-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(4-methylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]cyclopropane-1-carboxamide?
2,2-difluoro-N-[3-(3H-indol-2-yl)-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(2-methylmorpholin-4-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(4-methylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]cyclopropane-1-carboxamide has a molecular weight of 1693.74 g/mol, XLogP of 16.23, 15 rotatable bonds, 11 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[3-(3H-indol-2-yl)-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(2-methylmorpholin-4-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-[6-(4-methylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;2,2-difluoro-N-[3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 157291072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).