1,2-bis[3-fluoro-4-[2-methyl-3-(5-methyl-1H-indazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]phenyl]hydrazine

C44H34F2N10 — CID 156501395

IUPAC1,2-bis[3-fluoro-4-[2-methyl-3-(5-methyl-1H-indazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]phenyl]hydrazine
SMILESCc1ccc2[nH]ncc2c1-c1c(C)n(-c2ccc(NNc3ccc(-n4c(C)c(-c5c(C)ccc6[nH]ncc56)c5cccnc54)c(F)c3)cc2F)c2ncccc12
InChIInChI=1S/C44H34F2N10/c1-23-9-13-35-31(21-49-53-35)39(23)41-25(3)55(43-29(41)7-5-17-47-43)37-15-11-27(19-33(37)45)51-52-28-12-16-38(34(46)20-28)56-26(4)42(30-8-6-18-48-44(30)56)40-24(2)10-14-36-32(40)22-50-54-36/h5-22,51-52H,1-4H3,(H,49,53)(H,50,54)
InChIKeyZFVQMPGKCIGBJK-UHFFFAOYSA-N
MW740.82 g/mol
LogP10.40
Rot. Bonds7

About 1,2-bis[3-fluoro-4-[2-methyl-3-(5-methyl-1H-indazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]phenyl]hydrazine

1,2-bis[3-fluoro-4-[2-methyl-3-(5-methyl-1H-indazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]phenyl]hydrazine (PubChem CID 156501395) has the molecular formula C44H34F2N10 and a molecular weight of 740.82 g/mol. Its IUPAC name is 1,2-bis[3-fluoro-4-[2-methyl-3-(5-methyl-1H-indazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]phenyl]hydrazine.

Molecular Properties

Compound Name1,2-bis[3-fluoro-4-[2-methyl-3-(5-methyl-1H-indazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]phenyl]hydrazine
PubChem CID156501395
Molecular FormulaC44H34F2N10
Molecular Weight740.82 g/mol
Exact Mass740.29
IUPAC Name1,2-bis[3-fluoro-4-[2-methyl-3-(5-methyl-1H-indazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]phenyl]hydrazine
SMILESCc1ccc2[nH]ncc2c1-c1c(C)n(-c2ccc(NNc3ccc(-n4c(C)c(-c5c(C)ccc6[nH]ncc56)c5cccnc54)c(F)c3)cc2F)c2ncccc12
InChIInChI=1S/C44H34F2N10/c1-23-9-13-35-31(21-49-53-35)39(23)41-25(3)55(43-29(41)7-5-17-47-43)37-15-11-27(19-33(37)45)51-52-28-12-16-38(34(46)20-28)56-26(4)42(30-8-6-18-48-44(30)56)40-24(2)10-14-36-32(40)22-50-54-36/h5-22,51-52H,1-4H3,(H,49,53)(H,50,54)
InChIKeyZFVQMPGKCIGBJK-UHFFFAOYSA-N
XLogP10.40
TPSA117.06 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.82
LogP ≤ 510.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1,2-bis[3-fluoro-4-[2-methyl-3-(5-methyl-1H-indazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]phenyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[3-fluoro-4-[2-methyl-3-(5-methyl-1H-indazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]phenyl]hydrazine?
The IUPAC name of 1,2-bis[3-fluoro-4-[2-methyl-3-(5-methyl-1H-indazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]phenyl]hydrazine (CID 156501395) is 1,2-bis[3-fluoro-4-[2-methyl-3-(5-methyl-1H-indazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]phenyl]hydrazine.
What is the SMILES notation for 1,2-bis[3-fluoro-4-[2-methyl-3-(5-methyl-1H-indazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]phenyl]hydrazine?
The canonical SMILES for 1,2-bis[3-fluoro-4-[2-methyl-3-(5-methyl-1H-indazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]phenyl]hydrazine is Cc1ccc2[nH]ncc2c1-c1c(C)n(-c2ccc(NNc3ccc(-n4c(C)c(-c5c(C)ccc6[nH]ncc56)c5cccnc54)c(F)c3)cc2F)c2ncccc12.
What is the InChIKey of 1,2-bis[3-fluoro-4-[2-methyl-3-(5-methyl-1H-indazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]phenyl]hydrazine?
The InChIKey is ZFVQMPGKCIGBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34F2N10/c1-23-9-13-35-31(21-49-53-35)39(23)41-25(3)55(43-29(41)7-5-17-47-43)37-15-11-27(19-33(37)45)51-52-28-12-16-38(34(46)20-28)56-26(4)42(30-8-6-18-48-44(30)56)40-24(2)10-14-36-32(40)22-50-54-36/h5-22,51-52H,1-4H3,(H,49,53)(H,50,54).
What are the key properties of 1,2-bis[3-fluoro-4-[2-methyl-3-(5-methyl-1H-indazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]phenyl]hydrazine?
1,2-bis[3-fluoro-4-[2-methyl-3-(5-methyl-1H-indazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]phenyl]hydrazine has a molecular weight of 740.82 g/mol, XLogP of 10.40, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[3-fluoro-4-[2-methyl-3-(5-methyl-1H-indazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]phenyl]hydrazine is sourced from PubChem (CID 156501395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).