4-(4-methylpiperazin-1-yl)-2-(5-pyrazin-2-yl-1H-indazol-3-yl)-1,8-dihydrocyclohepta[d]imidazole

C24H24N8 — CID 145035939

IUPAC4-(4-methylpiperazin-1-yl)-2-(5-pyrazin-2-yl-1H-indazol-3-yl)-1,8-dihydrocyclohepta[d]imidazole
SMILESCN1CCN(C2=CC=CCc3[nH]c(-c4n[nH]c5ccc(-c6cnccn6)cc45)nc32)CC1
InChIInChI=1S/C24H24N8/c1-31-10-12-32(13-11-31)21-5-3-2-4-19-23(21)28-24(27-19)22-17-14-16(6-7-18(17)29-30-22)20-15-25-8-9-26-20/h2-3,5-9,14-15H,4,10-13H2,1H3,(H,27,28)(H,29,30)
InChIKeyHSNPPIGKCCBNJY-UHFFFAOYSA-N
MW424.51 g/mol
LogP3.11
Rot. Bonds3

About 4-(4-methylpiperazin-1-yl)-2-(5-pyrazin-2-yl-1H-indazol-3-yl)-1,8-dihydrocyclohepta[d]imidazole

4-(4-methylpiperazin-1-yl)-2-(5-pyrazin-2-yl-1H-indazol-3-yl)-1,8-dihydrocyclohepta[d]imidazole (PubChem CID 145035939) has the molecular formula C24H24N8 and a molecular weight of 424.51 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-2-(5-pyrazin-2-yl-1H-indazol-3-yl)-1,8-dihydrocyclohepta[d]imidazole.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-2-(5-pyrazin-2-yl-1H-indazol-3-yl)-1,8-dihydrocyclohepta[d]imidazole
PubChem CID145035939
Molecular FormulaC24H24N8
Molecular Weight424.51 g/mol
Exact Mass424.21
IUPAC Name4-(4-methylpiperazin-1-yl)-2-(5-pyrazin-2-yl-1H-indazol-3-yl)-1,8-dihydrocyclohepta[d]imidazole
SMILESCN1CCN(C2=CC=CCc3[nH]c(-c4n[nH]c5ccc(-c6cnccn6)cc45)nc32)CC1
InChIInChI=1S/C24H24N8/c1-31-10-12-32(13-11-31)21-5-3-2-4-19-23(21)28-24(27-19)22-17-14-16(6-7-18(17)29-30-22)20-15-25-8-9-26-20/h2-3,5-9,14-15H,4,10-13H2,1H3,(H,27,28)(H,29,30)
InChIKeyHSNPPIGKCCBNJY-UHFFFAOYSA-N
XLogP3.11
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-piperidin-1-yl-1,8-dihydrocyclohepta[d]imidazole
CID 137032951
(5S)-5-methyl-3-[3-[4-(4-methylpiperazin-1-yl)-1,8-dihydrocyclohepta[d]imidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]cyclohepta-1,3,6-trien-1-amine
CID 154655067
4-(4-methylpiperazin-1-yl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 137019243
4-(3-fluoro-5-methylphenyl)-2-(5-pyrazin-2-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine
CID 136937206
2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine
CID 136937844
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-(2-fluorophenyl)-2-(5-pyrazin-2-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine
CID 136936788
3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-4-yl-1H-indazole
CID 137117082
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
N-[3-ethyl-5-[3-[5-methyl-7-(4-methylpiperazin-1-yl)-3,4-dihydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]phenyl]-3,3-dimethylbutanamide
CID 137045514
3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridine
CID 137056885
4-[[2-(5-pyrazin-2-yl-1H-indazol-3-yl)-1H-indol-5-yl]methyl]morpholine
CID 170984757

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-2-(5-pyrazin-2-yl-1H-indazol-3-yl)-1,8-dihydrocyclohepta[d]imidazole?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-2-(5-pyrazin-2-yl-1H-indazol-3-yl)-1,8-dihydrocyclohepta[d]imidazole (CID 145035939) is 4-(4-methylpiperazin-1-yl)-2-(5-pyrazin-2-yl-1H-indazol-3-yl)-1,8-dihydrocyclohepta[d]imidazole.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-2-(5-pyrazin-2-yl-1H-indazol-3-yl)-1,8-dihydrocyclohepta[d]imidazole?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-2-(5-pyrazin-2-yl-1H-indazol-3-yl)-1,8-dihydrocyclohepta[d]imidazole is CN1CCN(C2=CC=CCc3[nH]c(-c4n[nH]c5ccc(-c6cnccn6)cc45)nc32)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-2-(5-pyrazin-2-yl-1H-indazol-3-yl)-1,8-dihydrocyclohepta[d]imidazole?
The InChIKey is HSNPPIGKCCBNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8/c1-31-10-12-32(13-11-31)21-5-3-2-4-19-23(21)28-24(27-19)22-17-14-16(6-7-18(17)29-30-22)20-15-25-8-9-26-20/h2-3,5-9,14-15H,4,10-13H2,1H3,(H,27,28)(H,29,30).
What are the key properties of 4-(4-methylpiperazin-1-yl)-2-(5-pyrazin-2-yl-1H-indazol-3-yl)-1,8-dihydrocyclohepta[d]imidazole?
4-(4-methylpiperazin-1-yl)-2-(5-pyrazin-2-yl-1H-indazol-3-yl)-1,8-dihydrocyclohepta[d]imidazole has a molecular weight of 424.51 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-2-(5-pyrazin-2-yl-1H-indazol-3-yl)-1,8-dihydrocyclohepta[d]imidazole is sourced from PubChem (CID 145035939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).