2-[6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine

C22H22FN9 — CID 153384585

IUPAC2-[6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine
SMILESCN1CCN(c2nccc3[nH]c(-c4n[nH]c5cc(F)c(-c6cnn(C)c6)cc45)nc23)CC1
InChIInChI=1S/C22H22FN9/c1-30-5-7-32(8-6-30)22-20-17(3-4-24-22)26-21(27-20)19-15-9-14(13-11-25-31(2)12-13)16(23)10-18(15)28-29-19/h3-4,9-12H,5-8H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyCTBIPAVELUBUAA-UHFFFAOYSA-N
MW431.48 g/mol
LogP2.79
Rot. Bonds3

About 2-[6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine

2-[6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine (PubChem CID 153384585) has the molecular formula C22H22FN9 and a molecular weight of 431.48 g/mol. Its IUPAC name is 2-[6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine
PubChem CID153384585
Molecular FormulaC22H22FN9
Molecular Weight431.48 g/mol
Exact Mass431.20
IUPAC Name2-[6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine
SMILESCN1CCN(c2nccc3[nH]c(-c4n[nH]c5cc(F)c(-c6cnn(C)c6)cc45)nc23)CC1
InChIInChI=1S/C22H22FN9/c1-30-5-7-32(8-6-30)22-20-17(3-4-24-22)26-21(27-20)19-15-9-14(13-11-25-31(2)12-13)16(23)10-18(15)28-29-19/h3-4,9-12H,5-8H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyCTBIPAVELUBUAA-UHFFFAOYSA-N
XLogP2.79
TPSA94.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.48
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-[6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine (CID 153384585) is 2-[6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine is CN1CCN(c2nccc3[nH]c(-c4n[nH]c5cc(F)c(-c6cnn(C)c6)cc45)nc23)CC1.
What is the InChIKey of 2-[6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine?
The InChIKey is CTBIPAVELUBUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN9/c1-30-5-7-32(8-6-30)22-20-17(3-4-24-22)26-21(27-20)19-15-9-14(13-11-25-31(2)12-13)16(23)10-18(15)28-29-19/h3-4,9-12H,5-8H2,1-2H3,(H,26,27)(H,28,29).
What are the key properties of 2-[6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine?
2-[6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine has a molecular weight of 431.48 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 153384585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).