3-[1-(2H-indazol-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(3H-inden-4-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[3,2-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[3,2-c]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol

C110H116N16O6 — CID 159218461

IUPAC3-[1-(2H-indazol-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(3H-inden-4-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[3,2-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[3,2-c]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol
SMILESOc1cccc(C2CCN(Cc3[nH]nc4ccccc34)C2)c1.Oc1cccc(C2CCN(Cc3c[nH]c4cccnc34)C2)c1.Oc1cccc(C2CCN(Cc3c[nH]c4ccncc34)C2)c1.Oc1cccc(C2CCN(Cc3c[nH]c4cnccc34)C2)c1.Oc1cccc(C2CCN(Cc3c[nH]c4ncccc34)C2)c1.Oc1cccc(C2CCN(Cc3cccc4c3CC=C4)C2)c1
InChIInChI=1S/C20H21NO.5C18H19N3O/c22-19-8-2-6-16(12-19)17-10-11-21(13-17)14-18-7-1-4-15-5-3-9-20(15)18;22-16-4-1-3-13(9-16)14-6-8-21(11-14)12-15-10-20-17-5-2-7-19-18(15)17;22-16-4-1-3-13(9-16)14-6-8-21(11-14)12-15-10-20-18-17(15)5-2-7-19-18;22-15-5-3-4-13(10-15)14-8-9-21(11-14)12-18-16-6-1-2-7-17(16)19-20-18;22-16-3-1-2-13(8-16)14-5-7-21(11-14)12-15-9-20-18-4-6-19-10-17(15)18;22-16-3-1-2-13(8-16)14-5-7-21(11-14)12-15-9-20-18-10-19-6-4-17(15)18/h1-8,12,17,22H,9-11,13-14H2;1-5,7,9-10,14,20,22H,6,8,11-12H2;1-5,7,9-10,14,22H,6,8,11-12H2,(H,19,20);1-7,10,14,22H,8-9,11-12H2,(H,19,20);2*1-4,6,8-10,14,20,22H,5,7,11-12H2
InChIKeyKRJLSTJNQLOKJA-UHFFFAOYSA-N
MW1758.24 g/mol
LogP20.24
Rot. Bonds18

About 3-[1-(2H-indazol-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(3H-inden-4-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[3,2-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[3,2-c]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol

3-[1-(2H-indazol-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(3H-inden-4-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[3,2-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[3,2-c]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol (PubChem CID 159218461) has the molecular formula C110H116N16O6 and a molecular weight of 1758.24 g/mol. Its IUPAC name is 3-[1-(2H-indazol-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(3H-inden-4-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[3,2-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[3,2-c]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol.

Molecular Properties

Compound Name3-[1-(2H-indazol-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(3H-inden-4-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[3,2-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[3,2-c]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol
PubChem CID159218461
Molecular FormulaC110H116N16O6
Molecular Weight1758.24 g/mol
Exact Mass1756.93
IUPAC Name3-[1-(2H-indazol-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(3H-inden-4-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[3,2-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[3,2-c]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol
SMILESOc1cccc(C2CCN(Cc3[nH]nc4ccccc34)C2)c1.Oc1cccc(C2CCN(Cc3c[nH]c4cccnc34)C2)c1.Oc1cccc(C2CCN(Cc3c[nH]c4ccncc34)C2)c1.Oc1cccc(C2CCN(Cc3c[nH]c4cnccc34)C2)c1.Oc1cccc(C2CCN(Cc3c[nH]c4ncccc34)C2)c1.Oc1cccc(C2CCN(Cc3cccc4c3CC=C4)C2)c1
InChIInChI=1S/C20H21NO.5C18H19N3O/c22-19-8-2-6-16(12-19)17-10-11-21(13-17)14-18-7-1-4-15-5-3-9-20(15)18;22-16-4-1-3-13(9-16)14-6-8-21(11-14)12-15-10-20-17-5-2-7-19-18(15)17;22-16-4-1-3-13(9-16)14-6-8-21(11-14)12-15-10-20-18-17(15)5-2-7-19-18;22-15-5-3-4-13(10-15)14-8-9-21(11-14)12-18-16-6-1-2-7-17(16)19-20-18;22-16-3-1-2-13(8-16)14-5-7-21(11-14)12-15-9-20-18-4-6-19-10-17(15)18;22-16-3-1-2-13(8-16)14-5-7-21(11-14)12-15-9-20-18-10-19-6-4-17(15)18/h1-8,12,17,22H,9-11,13-14H2;1-5,7,9-10,14,20,22H,6,8,11-12H2;1-5,7,9-10,14,22H,6,8,11-12H2,(H,19,20);1-7,10,14,22H,8-9,11-12H2,(H,19,20);2*1-4,6,8-10,14,20,22H,5,7,11-12H2
InChIKeyKRJLSTJNQLOKJA-UHFFFAOYSA-N
XLogP20.24
TPSA284.22 Ų
H-Bond Donors11
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001758.24
LogP ≤ 520.24
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1017

Analyze 3-[1-(2H-indazol-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(3H-inden-4-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[3,2-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[3,2-c]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol with MolForge

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Related Compounds

2-Fluoro-4-{3-[5-(3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl}-5-(2,2,2-trifluoro-ethyl)-phenol
CID 136263922
5-Ethyl-2-fluoro-4-{3-[5-(3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl}-phenol
CID 136263980
5-Ethyl-2-fluoro-4-[3-(5-[1,8]naphthyridin-2-ylmethyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-phenol
CID 136263989
3-[2-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol
CID 136937122
3-fluoro-5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenol
CID 136937123
3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol
CID 136937124
3-[2-[5-[5-(dimethylamino)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol
CID 136937125
3-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol
CID 136937126
3-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenol
CID 136937131
3-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol
CID 136937132
3-fluoro-5-[2-[5-[5-(propan-2-ylamino)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol
CID 136937133
3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol
CID 136937134

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2H-indazol-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(3H-inden-4-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[3,2-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[3,2-c]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol?
The IUPAC name of 3-[1-(2H-indazol-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(3H-inden-4-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[3,2-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[3,2-c]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol (CID 159218461) is 3-[1-(2H-indazol-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(3H-inden-4-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[3,2-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[3,2-c]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol.
What is the SMILES notation for 3-[1-(2H-indazol-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(3H-inden-4-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[3,2-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[3,2-c]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol?
The canonical SMILES for 3-[1-(2H-indazol-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(3H-inden-4-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[3,2-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[3,2-c]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol is Oc1cccc(C2CCN(Cc3[nH]nc4ccccc34)C2)c1.Oc1cccc(C2CCN(Cc3c[nH]c4cccnc34)C2)c1.Oc1cccc(C2CCN(Cc3c[nH]c4ccncc34)C2)c1.Oc1cccc(C2CCN(Cc3c[nH]c4cnccc34)C2)c1.Oc1cccc(C2CCN(Cc3c[nH]c4ncccc34)C2)c1.Oc1cccc(C2CCN(Cc3cccc4c3CC=C4)C2)c1.
What is the InChIKey of 3-[1-(2H-indazol-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(3H-inden-4-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[3,2-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[3,2-c]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol?
The InChIKey is KRJLSTJNQLOKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO.5C18H19N3O/c22-19-8-2-6-16(12-19)17-10-11-21(13-17)14-18-7-1-4-15-5-3-9-20(15)18;22-16-4-1-3-13(9-16)14-6-8-21(11-14)12-15-10-20-17-5-2-7-19-18(15)17;22-16-4-1-3-13(9-16)14-6-8-21(11-14)12-15-10-20-18-17(15)5-2-7-19-18;22-15-5-3-4-13(10-15)14-8-9-21(11-14)12-18-16-6-1-2-7-17(16)19-20-18;22-16-3-1-2-13(8-16)14-5-7-21(11-14)12-15-9-20-18-4-6-19-10-17(15)18;22-16-3-1-2-13(8-16)14-5-7-21(11-14)12-15-9-20-18-10-19-6-4-17(15)18/h1-8,12,17,22H,9-11,13-14H2;1-5,7,9-10,14,20,22H,6,8,11-12H2;1-5,7,9-10,14,22H,6,8,11-12H2,(H,19,20);1-7,10,14,22H,8-9,11-12H2,(H,19,20);2*1-4,6,8-10,14,20,22H,5,7,11-12H2.
What are the key properties of 3-[1-(2H-indazol-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(3H-inden-4-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[3,2-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[3,2-c]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol?
3-[1-(2H-indazol-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(3H-inden-4-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[3,2-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[3,2-c]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol has a molecular weight of 1758.24 g/mol, XLogP of 20.24, 18 rotatable bonds, 11 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2H-indazol-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(3H-inden-4-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[3,2-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[1-(1H-pyrrolo[3,2-c]pyridin-3-ylmethyl)pyrrolidin-3-yl]phenol is sourced from PubChem (CID 159218461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).