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

C24H23FN8 — CID 136936554

IUPAC2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine
SMILESCc1ccncc1-c1ccc2[nH]nc(-c3nc4c(N5CCN(C)CC5)nccc4[nH]3)c2c1F
InChIInChI=1S/C24H23FN8/c1-14-5-7-26-13-16(14)15-3-4-17-19(20(15)25)22(31-30-17)23-28-18-6-8-27-24(21(18)29-23)33-11-9-32(2)10-12-33/h3-8,13H,9-12H2,1-2H3,(H,28,29)(H,30,31)
InChIKeyFWKVCZPECXXPIA-UHFFFAOYSA-N
MW442.50 g/mol
LogP3.76
Rot. Bonds3

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

2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine (PubChem CID 136936554) has the molecular formula C24H23FN8 and a molecular weight of 442.50 g/mol. Its IUPAC name is 2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine
PubChem CID136936554
Molecular FormulaC24H23FN8
Molecular Weight442.50 g/mol
Exact Mass442.20
IUPAC Name2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine
SMILESCc1ccncc1-c1ccc2[nH]nc(-c3nc4c(N5CCN(C)CC5)nccc4[nH]3)c2c1F
InChIInChI=1S/C24H23FN8/c1-14-5-7-26-13-16(14)15-3-4-17-19(20(15)25)22(31-30-17)23-28-18-6-8-27-24(21(18)29-23)33-11-9-32(2)10-12-33/h3-8,13H,9-12H2,1-2H3,(H,28,29)(H,30,31)
InChIKeyFWKVCZPECXXPIA-UHFFFAOYSA-N
XLogP3.76
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-7-pyridin-2-yl-1H-imidazo[4,5-b]pyridine
CID 137135236
3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 136944995
5-[4-fluoro-3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 137135311
N-[5-[4-fluoro-3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 136943989
4-(4-methylpiperazin-1-yl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 137019243
N-[5-[4-fluoro-3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 136936497
2-[4-fluoro-3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazol-5-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine
CID 136938264
N-[5-[4-fluoro-3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 136936503
3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137312297
5-(4-methyl-3-pyridinyl)-3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137103136
4-fluoro-3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 136942518
4-fluoro-3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine
CID 136942688

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine (CID 136936554) is 2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine is Cc1ccncc1-c1ccc2[nH]nc(-c3nc4c(N5CCN(C)CC5)nccc4[nH]3)c2c1F.
What is the InChIKey of 2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine?
The InChIKey is FWKVCZPECXXPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN8/c1-14-5-7-26-13-16(14)15-3-4-17-19(20(15)25)22(31-30-17)23-28-18-6-8-27-24(21(18)29-23)33-11-9-32(2)10-12-33/h3-8,13H,9-12H2,1-2H3,(H,28,29)(H,30,31).
What are the key properties of 2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine?
2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine has a molecular weight of 442.50 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136936554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).