4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine

C36H37FN8 — CID 145034308

IUPAC4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
SMILESFc1cc(CCCN2CCCC2)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCC7)c6)cc45)nc23)c1
InChIInChI=1S/C36H37FN8/c37-29-18-24(6-5-15-44-11-1-2-12-44)16-27(19-29)33-35-32(9-10-39-33)40-36(41-35)34-30-20-26(7-8-31(30)42-43-34)28-17-25(21-38-22-28)23-45-13-3-4-14-45/h7-10,16-22H,1-6,11-15,23H2,(H,40,41)(H,42,43)
InChIKeyOHDRXMHVIDLBNI-UHFFFAOYSA-N
MW600.75 g/mol
LogP6.99
Rot. Bonds9

About 4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine

4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine (PubChem CID 145034308) has the molecular formula C36H37FN8 and a molecular weight of 600.75 g/mol. Its IUPAC name is 4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
PubChem CID145034308
Molecular FormulaC36H37FN8
Molecular Weight600.75 g/mol
Exact Mass600.31
IUPAC Name4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
SMILESFc1cc(CCCN2CCCC2)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCC7)c6)cc45)nc23)c1
InChIInChI=1S/C36H37FN8/c37-29-18-24(6-5-15-44-11-1-2-12-44)16-27(19-29)33-35-32(9-10-39-33)40-36(41-35)34-30-20-26(7-8-31(30)42-43-34)28-17-25(21-38-22-28)23-45-13-3-4-14-45/h7-10,16-22H,1-6,11-15,23H2,(H,40,41)(H,42,43)
InChIKeyOHDRXMHVIDLBNI-UHFFFAOYSA-N
XLogP6.99
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.75
LogP ≤ 56.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-2-[5-[5-(pyrrolidin-1-ylmethyl)-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

Lorecivivint
CID 135565709
Ag-24322
CID 135413565
N-[4-(dimethylphosphoryl)phenyl]-9-[(E)-2-(5-methyl-1H-indazol-4-yl)ethenyl]-9H-purin-6-amine
CID 44517648
MK-4256
CID 56927659
Vlx-600
CID 6410104
6-fluoro-2-[1-({4-[3-phenyl-5-(1H-1,2,3,4-tetrazol-5-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-1H-1,3-benzodiazole
CID 11341558
3-(1H-Indazol-5-yl)-N-propylimidazo(1,2-b)pyridazin-6-amine
CID 70679308
7-Fluoro-4-(5-Methyl-3h-Imidazo[4,5-B]pyridin-6-Yl)-2,4-Dihydropyrazolo[4,3-B]indole
CID 73426341
4-[1-(5,8-difluoroquinolin-4-yl)-2-methyl-4-(4H-1,2,4-triazol-3-yl)-1H-benzimidazol-6-yl]-3-fluoropyridin-2-amine
CID 134372959
N-[2-(7-methyl-1H-indazol-5-yl)-1-[1-(pyridin-3-ylmethyl)imidazol-2-yl]ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11238677
N-[1-[1-[(3-fluorophenyl)methyl]imidazol-2-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11250445
N-[1-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11250446

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine (CID 145034308) is 4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine is Fc1cc(CCCN2CCCC2)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCC7)c6)cc45)nc23)c1.
What is the InChIKey of 4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The InChIKey is OHDRXMHVIDLBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37FN8/c37-29-18-24(6-5-15-44-11-1-2-12-44)16-27(19-29)33-35-32(9-10-39-33)40-36(41-35)34-30-20-26(7-8-31(30)42-43-34)28-17-25(21-38-22-28)23-45-13-3-4-14-45/h7-10,16-22H,1-6,11-15,23H2,(H,40,41)(H,42,43).
What are the key properties of 4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine has a molecular weight of 600.75 g/mol, XLogP of 6.99, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 145034308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).