2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridine;1-propylpyrrolidine

C37H39F3N8 — CID 145034325

IUPAC2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridine;1-propylpyrrolidine
SMILESCCCN1CCCC1.Cc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCC(F)(F)C7)c6)cc45)nc23)c1
InChIInChI=1S/C30H24F3N7.C7H15N/c1-17-8-20(11-22(31)9-17)26-28-25(4-6-35-26)36-29(37-28)27-23-12-19(2-3-24(23)38-39-27)21-10-18(13-34-14-21)15-40-7-5-30(32,33)16-40;1-2-5-8-6-3-4-7-8/h2-4,6,8-14H,5,7,15-16H2,1H3,(H,36,37)(H,38,39);2-7H2,1H3
InChIKeyCNPFEWTZKPKDTI-UHFFFAOYSA-N
MW652.77 g/mol
LogP8.01
Rot. Bonds7

About 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridine;1-propylpyrrolidine

2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridine;1-propylpyrrolidine (PubChem CID 145034325) has the molecular formula C37H39F3N8 and a molecular weight of 652.77 g/mol. Its IUPAC name is 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridine;1-propylpyrrolidine.

Molecular Properties

Compound Name2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridine;1-propylpyrrolidine
PubChem CID145034325
Molecular FormulaC37H39F3N8
Molecular Weight652.77 g/mol
Exact Mass652.32
IUPAC Name2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridine;1-propylpyrrolidine
SMILESCCCN1CCCC1.Cc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCC(F)(F)C7)c6)cc45)nc23)c1
InChIInChI=1S/C30H24F3N7.C7H15N/c1-17-8-20(11-22(31)9-17)26-28-25(4-6-35-26)36-29(37-28)27-23-12-19(2-3-24(23)38-39-27)21-10-18(13-34-14-21)15-40-7-5-30(32,33)16-40;1-2-5-8-6-3-4-7-8/h2-4,6,8-14H,5,7,15-16H2,1H3,(H,36,37)(H,38,39);2-7H2,1H3
InChIKeyCNPFEWTZKPKDTI-UHFFFAOYSA-N
XLogP8.01
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.77
LogP ≤ 58.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridine;1-propylpyrrolidine with MolForge

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Related Compounds

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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
N-[1-[1-[(3,5-difluorophenyl)methyl]imidazol-2-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11411030

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridine;1-propylpyrrolidine?
The IUPAC name of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridine;1-propylpyrrolidine (CID 145034325) is 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridine;1-propylpyrrolidine.
What is the SMILES notation for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridine;1-propylpyrrolidine?
The canonical SMILES for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridine;1-propylpyrrolidine is CCCN1CCCC1.Cc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCC(F)(F)C7)c6)cc45)nc23)c1.
What is the InChIKey of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridine;1-propylpyrrolidine?
The InChIKey is CNPFEWTZKPKDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F3N7.C7H15N/c1-17-8-20(11-22(31)9-17)26-28-25(4-6-35-26)36-29(37-28)27-23-12-19(2-3-24(23)38-39-27)21-10-18(13-34-14-21)15-40-7-5-30(32,33)16-40;1-2-5-8-6-3-4-7-8/h2-4,6,8-14H,5,7,15-16H2,1H3,(H,36,37)(H,38,39);2-7H2,1H3.
What are the key properties of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridine;1-propylpyrrolidine?
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridine;1-propylpyrrolidine has a molecular weight of 652.77 g/mol, XLogP of 8.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridine;1-propylpyrrolidine is sourced from PubChem (CID 145034325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).