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

C22H23N9 — CID 137019243

IUPAC4-(4-methylpiperazin-1-yl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
SMILESCN1CCN(c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cnn(C)c6)cc45)nc23)CC1
InChIInChI=1S/C22H23N9/c1-29-7-9-31(10-8-29)22-20-18(5-6-23-22)25-21(26-20)19-16-11-14(3-4-17(16)27-28-19)15-12-24-30(2)13-15/h3-6,11-13H,7-10H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyACMXWGKSMBTDJS-UHFFFAOYSA-N
MW413.49 g/mol
LogP2.65
Rot. Bonds3

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

4-(4-methylpiperazin-1-yl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine (PubChem CID 137019243) has the molecular formula C22H23N9 and a molecular weight of 413.49 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
PubChem CID137019243
Molecular FormulaC22H23N9
Molecular Weight413.49 g/mol
Exact Mass413.21
IUPAC Name4-(4-methylpiperazin-1-yl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
SMILESCN1CCN(c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cnn(C)c6)cc45)nc23)CC1
InChIInChI=1S/C22H23N9/c1-29-7-9-31(10-8-29)22-20-18(5-6-23-22)25-21(26-20)19-16-11-14(3-4-17(16)27-28-19)15-12-24-30(2)13-15/h3-6,11-13H,7-10H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyACMXWGKSMBTDJS-UHFFFAOYSA-N
XLogP2.65
TPSA94.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-methylimidazol-1-yl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 136936859
3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole
CID 137313037
2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-piperidin-1-yl-1H-imidazo[4,5-c]pyridine
CID 136944307
4-(furan-3-yl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 136936919
4-(2-fluorophenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 136936775
1-[[5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]propan-1-ol
CID 137255088
1-cyclopentyl-N-[[5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
CID 137019554
4-piperidin-1-yl-2-(5-pyridin-2-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine
CID 136936860
2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine
CID 136937864
2-[3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine
CID 136937065
1-methyl-4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]piperazin-2-one
CID 90400794
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

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine (CID 137019243) is 4-(4-methylpiperazin-1-yl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine is CN1CCN(c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cnn(C)c6)cc45)nc23)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The InChIKey is ACMXWGKSMBTDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N9/c1-29-7-9-31(10-8-29)22-20-18(5-6-23-22)25-21(26-20)19-16-11-14(3-4-17(16)27-28-19)15-12-24-30(2)13-15/h3-6,11-13H,7-10H2,1-2H3,(H,25,26)(H,27,28).
What are the key properties of 4-(4-methylpiperazin-1-yl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
4-(4-methylpiperazin-1-yl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine has a molecular weight of 413.49 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 137019243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).