ethane;3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-indol-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine;4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-2-[(5E)-4-methylidene-5-[(E)-3-pyridin-4-ylbut-2-enylidene]-1H-pyrazol-3-yl]-1H-indole

C69H71F2N11 — CID 145249831

IUPACethane;3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-indol-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine;4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-2-[(5E)-4-methylidene-5-[(E)-3-pyridin-4-ylbut-2-enylidene]-1H-pyrazol-3-yl]-1H-indole
SMILESC=c1c(-c2cc3c(-c4cc(F)cc(CCCN5CCCC5)c4)cccc3[nH]2)n[nH]/c1=C/C=C(\C)c1ccncc1.CC.Cc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(F)cc(CCCN7CCCC7)c6)cccc5[nH]4)c3n2)c1
InChIInChI=1S/C34H34FN5.C33H31FN6.C2H6/c1-23(26-12-14-36-15-13-26)10-11-31-24(2)34(39-38-31)33-22-30-29(8-5-9-32(30)37-33)27-19-25(20-28(35)21-27)7-6-18-40-16-3-4-17-40;1-21-14-24(20-35-19-21)28-9-10-30-32(37-28)33(39-38-30)31-18-27-26(7-4-8-29(27)36-31)23-15-22(16-25(34)17-23)6-5-13-40-11-2-3-12-40;1-2/h5,8-15,19-22,37-38H,2-4,6-7,16-18H2,1H3;4,7-10,14-20,36H,2-3,5-6,11-13H2,1H3,(H,38,39);1-2H3/b23-10+,31-11+;;
InChIKeyCBUJMXCVOBJUMO-ITGHYWSOSA-N
MW1092.40 g/mol
LogP14.42
Rot. Bonds15

About ethane;3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-indol-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine;4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-2-[(5E)-4-methylidene-5-[(E)-3-pyridin-4-ylbut-2-enylidene]-1H-pyrazol-3-yl]-1H-indole

ethane;3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-indol-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine;4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-2-[(5E)-4-methylidene-5-[(E)-3-pyridin-4-ylbut-2-enylidene]-1H-pyrazol-3-yl]-1H-indole (PubChem CID 145249831) has the molecular formula C69H71F2N11 and a molecular weight of 1092.40 g/mol. Its IUPAC name is ethane;3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-indol-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine;4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-2-[(5E)-4-methylidene-5-[(E)-3-pyridin-4-ylbut-2-enylidene]-1H-pyrazol-3-yl]-1H-indole.

Molecular Properties

Compound Nameethane;3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-indol-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine;4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-2-[(5E)-4-methylidene-5-[(E)-3-pyridin-4-ylbut-2-enylidene]-1H-pyrazol-3-yl]-1H-indole
PubChem CID145249831
Molecular FormulaC69H71F2N11
Molecular Weight1092.40 g/mol
Exact Mass1091.59
IUPAC Nameethane;3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-indol-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine;4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-2-[(5E)-4-methylidene-5-[(E)-3-pyridin-4-ylbut-2-enylidene]-1H-pyrazol-3-yl]-1H-indole
SMILESC=c1c(-c2cc3c(-c4cc(F)cc(CCCN5CCCC5)c4)cccc3[nH]2)n[nH]/c1=C/C=C(\C)c1ccncc1.CC.Cc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(F)cc(CCCN7CCCC7)c6)cccc5[nH]4)c3n2)c1
InChIInChI=1S/C34H34FN5.C33H31FN6.C2H6/c1-23(26-12-14-36-15-13-26)10-11-31-24(2)34(39-38-31)33-22-30-29(8-5-9-32(30)37-33)27-19-25(20-28(35)21-27)7-6-18-40-16-3-4-17-40;1-21-14-24(20-35-19-21)28-9-10-30-32(37-28)33(39-38-30)31-18-27-26(7-4-8-29(27)36-31)23-15-22(16-25(34)17-23)6-5-13-40-11-2-3-12-40;1-2/h5,8-15,19-22,37-38H,2-4,6-7,16-18H2,1H3;4,7-10,14-20,36H,2-3,5-6,11-13H2,1H3,(H,38,39);1-2H3/b23-10+,31-11+;;
InChIKeyCBUJMXCVOBJUMO-ITGHYWSOSA-N
XLogP14.42
TPSA134.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001092.40
LogP ≤ 514.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze ethane;3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-indol-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine;4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-2-[(5E)-4-methylidene-5-[(E)-3-pyridin-4-ylbut-2-enylidene]-1H-pyrazol-3-yl]-1H-indole with MolForge

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Related Compounds

5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137039626
4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-pyrrolo[2,3-c]pyridine
CID 137116773
US10435405, Example 209
CID 134327768
US10435405, Example 241
CID 134328046
5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
CID 137033905
3-[4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 137034133
3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
CID 137034241
3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine
CID 137040033
3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
CID 137087962
1-[5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 137088047
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-indazole
CID 137088429
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine
CID 137110540

Frequently Asked Questions

What is the IUPAC name of ethane;3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-indol-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine;4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-2-[(5E)-4-methylidene-5-[(E)-3-pyridin-4-ylbut-2-enylidene]-1H-pyrazol-3-yl]-1H-indole?
The IUPAC name of ethane;3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-indol-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine;4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-2-[(5E)-4-methylidene-5-[(E)-3-pyridin-4-ylbut-2-enylidene]-1H-pyrazol-3-yl]-1H-indole (CID 145249831) is ethane;3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-indol-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine;4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-2-[(5E)-4-methylidene-5-[(E)-3-pyridin-4-ylbut-2-enylidene]-1H-pyrazol-3-yl]-1H-indole.
What is the SMILES notation for ethane;3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-indol-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine;4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-2-[(5E)-4-methylidene-5-[(E)-3-pyridin-4-ylbut-2-enylidene]-1H-pyrazol-3-yl]-1H-indole?
The canonical SMILES for ethane;3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-indol-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine;4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-2-[(5E)-4-methylidene-5-[(E)-3-pyridin-4-ylbut-2-enylidene]-1H-pyrazol-3-yl]-1H-indole is C=c1c(-c2cc3c(-c4cc(F)cc(CCCN5CCCC5)c4)cccc3[nH]2)n[nH]/c1=C/C=C(\C)c1ccncc1.CC.Cc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(F)cc(CCCN7CCCC7)c6)cccc5[nH]4)c3n2)c1.
What is the InChIKey of ethane;3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-indol-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine;4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-2-[(5E)-4-methylidene-5-[(E)-3-pyridin-4-ylbut-2-enylidene]-1H-pyrazol-3-yl]-1H-indole?
The InChIKey is CBUJMXCVOBJUMO-ITGHYWSOSA-N. The full InChI is InChI=1S/C34H34FN5.C33H31FN6.C2H6/c1-23(26-12-14-36-15-13-26)10-11-31-24(2)34(39-38-31)33-22-30-29(8-5-9-32(30)37-33)27-19-25(20-28(35)21-27)7-6-18-40-16-3-4-17-40;1-21-14-24(20-35-19-21)28-9-10-30-32(37-28)33(39-38-30)31-18-27-26(7-4-8-29(27)36-31)23-15-22(16-25(34)17-23)6-5-13-40-11-2-3-12-40;1-2/h5,8-15,19-22,37-38H,2-4,6-7,16-18H2,1H3;4,7-10,14-20,36H,2-3,5-6,11-13H2,1H3,(H,38,39);1-2H3/b23-10+,31-11+;;.
What are the key properties of ethane;3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-indol-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine;4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-2-[(5E)-4-methylidene-5-[(E)-3-pyridin-4-ylbut-2-enylidene]-1H-pyrazol-3-yl]-1H-indole?
ethane;3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-indol-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine;4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-2-[(5E)-4-methylidene-5-[(E)-3-pyridin-4-ylbut-2-enylidene]-1H-pyrazol-3-yl]-1H-indole has a molecular weight of 1092.40 g/mol, XLogP of 14.42, 15 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-indol-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine;4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-2-[(5E)-4-methylidene-5-[(E)-3-pyridin-4-ylbut-2-enylidene]-1H-pyrazol-3-yl]-1H-indole is sourced from PubChem (CID 145249831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).