(1S)-N-[4-[6-[[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]oxy]indazol-1-yl]-6-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-3-pyridinyl]-1-[1-[2-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-4-pyridinyl]indazol-6-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrilium

C56H53N10O4+ — CID 164587352

About (1S)-N-[4-[6-[[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]oxy]indazol-1-yl]-6-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-3-pyridinyl]-1-[1-[2-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-4-pyridinyl]indazol-6-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrilium

(1S)-N-[4-[6-[[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]oxy]indazol-1-yl]-6-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-3-pyridinyl]-1-[1-[2-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-4-pyridinyl]indazol-6-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrilium (PubChem CID 164587352) has the molecular formula C56H53N10O4+ and a molecular weight of 930.11 g/mol. Its IUPAC name is (1S)-N-[4-[6-[[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]oxy]indazol-1-yl]-6-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-3-pyridinyl]-1-[1-[2-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-4-pyridinyl]indazol-6-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrilium.

Molecular Properties

• Compound Name: (1S)-N-[4-[6-[[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]oxy]indazol-1-yl]-6-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-3-pyridinyl]-1-[1-[2-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-4-pyridinyl]indazol-6-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrilium
• PubChem CID: 164587352
• Molecular Formula: C56H53N10O4+
• Molecular Weight: 930.11 g/mol
• Exact Mass: 929.42
• IUPAC Name: (1S)-N-[4-[6-[[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]oxy]indazol-1-yl]-6-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-3-pyridinyl]-1-[1-[2-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-4-pyridinyl]indazol-6-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrilium
• SMILES: CC(C)(O)C1CN(c2cc(-n3ncc4ccc(O[C@H]5CCc6cc(C#[N+]c7cnc(N8CC(C(C)(C)O)C8)cc7-n7ncc8ccc(O[C@@H]9CCc%10cc(C#N)ccc%109)cc87)ccc65)cc43)ccn2)C1
• InChI: InChI=1S/C56H53N10O4/c1-55(2,67)40-30-63(31-40)53-21-42(17-18-58-53)65-48-22-43(11-7-38(48)27-61-65)69-52-16-10-37-20-35(6-14-46(37)52)26-59-47-29-60-54(64-32-41(33-64)56(3,4)68)24-50(47)66-49-23-44(12-8-39(49)28-62-66)70-51-15-9-36-19-34(25-57)5-13-45(36)51/h5-8,11-14,17-24,27-29,40-41,51-52,67-68H,9-10,15-16,30-33H2,1-4H3/q+1/t51-,52+/m1/s1
• InChIKey: LPXBUFRILIWHLV-CECLPTFUSA-N
• XLogP: 9.59
• TPSA: 154.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	930.11
LogP ≤ 5	9.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[4-[6-[[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]oxy]indazol-1-yl]-6-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-3-pyridinyl]-1-[1-[2-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-4-pyridinyl]indazol-6-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrilium?

The IUPAC name of (1S)-N-[4-[6-[[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]oxy]indazol-1-yl]-6-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-3-pyridinyl]-1-[1-[2-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-4-pyridinyl]indazol-6-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrilium (CID 164587352) is (1S)-N-[4-[6-[[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]oxy]indazol-1-yl]-6-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-3-pyridinyl]-1-[1-[2-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-4-pyridinyl]indazol-6-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrilium.

What is the SMILES notation for (1S)-N-[4-[6-[[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]oxy]indazol-1-yl]-6-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-3-pyridinyl]-1-[1-[2-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-4-pyridinyl]indazol-6-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrilium?

The canonical SMILES for (1S)-N-[4-[6-[[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]oxy]indazol-1-yl]-6-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-3-pyridinyl]-1-[1-[2-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-4-pyridinyl]indazol-6-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrilium is CC(C)(O)C1CN(c2cc(-n3ncc4ccc(O[C@H]5CCc6cc(C#[N+]c7cnc(N8CC(C(C)(C)O)C8)cc7-n7ncc8ccc(O[C@@H]9CCc%10cc(C#N)ccc%109)cc87)ccc65)cc43)ccn2)C1.

What is the InChIKey of (1S)-N-[4-[6-[[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]oxy]indazol-1-yl]-6-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-3-pyridinyl]-1-[1-[2-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-4-pyridinyl]indazol-6-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrilium?

The InChIKey is LPXBUFRILIWHLV-CECLPTFUSA-N. The full InChI is InChI=1S/C56H53N10O4/c1-55(2,67)40-30-63(31-40)53-21-42(17-18-58-53)65-48-22-43(11-7-38(48)27-61-65)69-52-16-10-37-20-35(6-14-46(37)52)26-59-47-29-60-54(64-32-41(33-64)56(3,4)68)24-50(47)66-49-23-44(12-8-39(49)28-62-66)70-51-15-9-36-19-34(25-57)5-13-45(36)51/h5-8,11-14,17-24,27-29,40-41,51-52,67-68H,9-10,15-16,30-33H2,1-4H3/q+1/t51-,52+/m1/s1.

What are the key properties of (1S)-N-[4-[6-[[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]oxy]indazol-1-yl]-6-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-3-pyridinyl]-1-[1-[2-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-4-pyridinyl]indazol-6-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrilium?

(1S)-N-[4-[6-[[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]oxy]indazol-1-yl]-6-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-3-pyridinyl]-1-[1-[2-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-4-pyridinyl]indazol-6-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrilium has a molecular weight of 930.11 g/mol, XLogP of 9.59, 10 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-N-[4-[6-[[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]oxy]indazol-1-yl]-6-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-3-pyridinyl]-1-[1-[2-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-4-pyridinyl]indazol-6-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrilium is sourced from PubChem (CID 164587352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).