4-(2-fluorophenyl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine

C30H26FN7O — CID 136936780

IUPAC4-(2-fluorophenyl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
SMILESFc1ccccc1-c1nccc2[nH]c(-c3n[nH]c4ccc(-c5cncc(OCCN6CCCC6)c5)cc34)nc12
InChIInChI=1S/C30H26FN7O/c31-24-6-2-1-5-22(24)27-29-26(9-10-33-27)34-30(35-29)28-23-16-19(7-8-25(23)36-37-28)20-15-21(18-32-17-20)39-14-13-38-11-3-4-12-38/h1-2,5-10,15-18H,3-4,11-14H2,(H,34,35)(H,36,37)
InChIKeyUXMHETOUGVZPOM-UHFFFAOYSA-N
MW519.58 g/mol
LogP5.84
Rot. Bonds7

About 4-(2-fluorophenyl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine

4-(2-fluorophenyl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine (PubChem CID 136936780) has the molecular formula C30H26FN7O and a molecular weight of 519.58 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
PubChem CID136936780
Molecular FormulaC30H26FN7O
Molecular Weight519.58 g/mol
Exact Mass519.22
IUPAC Name4-(2-fluorophenyl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
SMILESFc1ccccc1-c1nccc2[nH]c(-c3n[nH]c4ccc(-c5cncc(OCCN6CCCC6)c5)cc34)nc12
InChIInChI=1S/C30H26FN7O/c31-24-6-2-1-5-22(24)27-29-26(9-10-33-27)34-30(35-29)28-23-16-19(7-8-25(23)36-37-28)20-15-21(18-32-17-20)39-14-13-38-11-3-4-12-38/h1-2,5-10,15-18H,3-4,11-14H2,(H,34,35)(H,36,37)
InChIKeyUXMHETOUGVZPOM-UHFFFAOYSA-N
XLogP5.84
TPSA95.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.58
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(2-fluorophenyl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

CID 16040274
CID 16040274
CID 23647380
CID 23647380
CID 137133138
CID 137133138
CID 10238471
CID 10238471
CID 46225574
CID 46225574
CID 118732961
CID 118732961
CID 168296886
CID 168296886
CID 10238690
CID 10238690
CID 11237028
CID 11237028
CID 11611566
CID 11611566
CID 12020642
CID 12020642
CID 44222969
CID 44222969

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 4-(2-fluorophenyl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine (CID 136936780) is 4-(2-fluorophenyl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 4-(2-fluorophenyl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 4-(2-fluorophenyl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine is Fc1ccccc1-c1nccc2[nH]c(-c3n[nH]c4ccc(-c5cncc(OCCN6CCCC6)c5)cc34)nc12.
What is the InChIKey of 4-(2-fluorophenyl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The InChIKey is UXMHETOUGVZPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN7O/c31-24-6-2-1-5-22(24)27-29-26(9-10-33-27)34-30(35-29)28-23-16-19(7-8-25(23)36-37-28)20-15-21(18-32-17-20)39-14-13-38-11-3-4-12-38/h1-2,5-10,15-18H,3-4,11-14H2,(H,34,35)(H,36,37).
What are the key properties of 4-(2-fluorophenyl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
4-(2-fluorophenyl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine has a molecular weight of 519.58 g/mol, XLogP of 5.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136936780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).