7-(3-fluorophenyl)-2-[3-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazol-5-yl]-3H-imidazo[4,5-c]pyridine

C25H23FN8 — CID 136501886

IUPAC7-(3-fluorophenyl)-2-[3-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazol-5-yl]-3H-imidazo[4,5-c]pyridine
SMILESCN1CCN(c2cncc(-c3cc(-c4nc5c(-c6cccc(F)c6)cncc5[nH]4)[nH]n3)c2)CC1
InChIInChI=1S/C25H23FN8/c1-33-5-7-34(8-6-33)19-10-17(12-27-13-19)21-11-22(32-31-21)25-29-23-15-28-14-20(24(23)30-25)16-3-2-4-18(26)9-16/h2-4,9-15H,5-8H2,1H3,(H,29,30)(H,31,32)
InChIKeyDTLAXXNKFZDEKO-UHFFFAOYSA-N
MW454.51 g/mol
LogP3.97
Rot. Bonds4

About 7-(3-fluorophenyl)-2-[3-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazol-5-yl]-3H-imidazo[4,5-c]pyridine

7-(3-fluorophenyl)-2-[3-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazol-5-yl]-3H-imidazo[4,5-c]pyridine (PubChem CID 136501886) has the molecular formula C25H23FN8 and a molecular weight of 454.51 g/mol. Its IUPAC name is 7-(3-fluorophenyl)-2-[3-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazol-5-yl]-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name7-(3-fluorophenyl)-2-[3-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazol-5-yl]-3H-imidazo[4,5-c]pyridine
PubChem CID136501886
Molecular FormulaC25H23FN8
Molecular Weight454.51 g/mol
Exact Mass454.20
IUPAC Name7-(3-fluorophenyl)-2-[3-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazol-5-yl]-3H-imidazo[4,5-c]pyridine
SMILESCN1CCN(c2cncc(-c3cc(-c4nc5c(-c6cccc(F)c6)cncc5[nH]4)[nH]n3)c2)CC1
InChIInChI=1S/C25H23FN8/c1-33-5-7-34(8-6-33)19-10-17(12-27-13-19)21-11-22(32-31-21)25-29-23-15-28-14-20(24(23)30-25)16-3-2-4-18(26)9-16/h2-4,9-15H,5-8H2,1H3,(H,29,30)(H,31,32)
InChIKeyDTLAXXNKFZDEKO-UHFFFAOYSA-N
XLogP3.97
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-(3-fluorophenyl)-2-[5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine
CID 136643200
2-[5-[5-(azetidin-1-yl)-3-pyridinyl]-1H-indazol-3-yl]-7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine;1-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]piperidin-4-ol;7-(3-fluorophenyl)-2-[5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;7-(3-fluorophenyl)-2-[5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine
CID 160930793
3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
CID 137110420
3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137143019
4-(3-fluorophenyl)-2-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-benzimidazole
CID 154654111
4-(4-methylpiperazin-1-yl)-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-benzimidazole
CID 137109029
3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 137142989
5-(5-fluoro-3-pyridinyl)-3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 145038352
2-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 140660598
N-[3-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3,4-dihydropyridin-5-yl]-1-methylpiperidine-4-carboxamide
CID 137257343
1-[5-[4-fluoro-3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 136946735
5-[4-fluoro-3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
CID 136946734

Frequently Asked Questions

What is the IUPAC name of 7-(3-fluorophenyl)-2-[3-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazol-5-yl]-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 7-(3-fluorophenyl)-2-[3-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazol-5-yl]-3H-imidazo[4,5-c]pyridine (CID 136501886) is 7-(3-fluorophenyl)-2-[3-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazol-5-yl]-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 7-(3-fluorophenyl)-2-[3-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazol-5-yl]-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 7-(3-fluorophenyl)-2-[3-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazol-5-yl]-3H-imidazo[4,5-c]pyridine is CN1CCN(c2cncc(-c3cc(-c4nc5c(-c6cccc(F)c6)cncc5[nH]4)[nH]n3)c2)CC1.
What is the InChIKey of 7-(3-fluorophenyl)-2-[3-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazol-5-yl]-3H-imidazo[4,5-c]pyridine?
The InChIKey is DTLAXXNKFZDEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN8/c1-33-5-7-34(8-6-33)19-10-17(12-27-13-19)21-11-22(32-31-21)25-29-23-15-28-14-20(24(23)30-25)16-3-2-4-18(26)9-16/h2-4,9-15H,5-8H2,1H3,(H,29,30)(H,31,32).
What are the key properties of 7-(3-fluorophenyl)-2-[3-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazol-5-yl]-3H-imidazo[4,5-c]pyridine?
7-(3-fluorophenyl)-2-[3-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazol-5-yl]-3H-imidazo[4,5-c]pyridine has a molecular weight of 454.51 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluorophenyl)-2-[3-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazol-5-yl]-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136501886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).