3-[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-1-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]isoquinoline;3-(5-tert-butyl-1H-pyrazol-3-yl)-1-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)isoquinoline

C60H74N10O2 — CID 161161567

IUPAC3-[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-1-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]isoquinoline;3-(5-tert-butyl-1H-pyrazol-3-yl)-1-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)isoquinoline
SMILESCC(C)(C)c1cc(-c2cc3ccccc3c(-c3c4c(nn3C3CCCCO3)C(C)(C)CCC4)n2)n(C2CCCCO2)n1.CC(C)(C)c1cc(-c2cc3ccccc3c(-c3n[nH]c4c3CCCC4(C)C)n2)n[nH]1
InChIInChI=1S/C35H45N5O2.C25H29N5/c1-34(2,3)28-22-27(39(37-28)29-16-8-10-19-41-29)26-21-23-13-6-7-14-24(23)31(36-26)32-25-15-12-18-35(4,5)33(25)38-40(32)30-17-9-11-20-42-30;1-24(2,3)20-14-19(27-28-20)18-13-15-9-6-7-10-16(15)21(26-18)22-17-11-8-12-25(4,5)23(17)30-29-22/h6-7,13-14,21-22,29-30H,8-12,15-20H2,1-5H3;6-7,9-10,13-14H,8,11-12H2,1-5H3,(H,27,28)(H,29,30)
InChIKeyUPZKJWJZLPLING-UHFFFAOYSA-N
MW967.32 g/mol
LogP14.20
Rot. Bonds6

About 3-[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-1-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]isoquinoline;3-(5-tert-butyl-1H-pyrazol-3-yl)-1-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)isoquinoline

3-[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-1-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]isoquinoline;3-(5-tert-butyl-1H-pyrazol-3-yl)-1-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)isoquinoline (PubChem CID 161161567) has the molecular formula C60H74N10O2 and a molecular weight of 967.32 g/mol. Its IUPAC name is 3-[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-1-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]isoquinoline;3-(5-tert-butyl-1H-pyrazol-3-yl)-1-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)isoquinoline.

Molecular Properties

Compound Name3-[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-1-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]isoquinoline;3-(5-tert-butyl-1H-pyrazol-3-yl)-1-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)isoquinoline
PubChem CID161161567
Molecular FormulaC60H74N10O2
Molecular Weight967.32 g/mol
Exact Mass966.60
IUPAC Name3-[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-1-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]isoquinoline;3-(5-tert-butyl-1H-pyrazol-3-yl)-1-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)isoquinoline
SMILESCC(C)(C)c1cc(-c2cc3ccccc3c(-c3c4c(nn3C3CCCCO3)C(C)(C)CCC4)n2)n(C2CCCCO2)n1.CC(C)(C)c1cc(-c2cc3ccccc3c(-c3n[nH]c4c3CCCC4(C)C)n2)n[nH]1
InChIInChI=1S/C35H45N5O2.C25H29N5/c1-34(2,3)28-22-27(39(37-28)29-16-8-10-19-41-29)26-21-23-13-6-7-14-24(23)31(36-26)32-25-15-12-18-35(4,5)33(25)38-40(32)30-17-9-11-20-42-30;1-24(2,3)20-14-19(27-28-20)18-13-15-9-6-7-10-16(15)21(26-18)22-17-11-8-12-25(4,5)23(17)30-29-22/h6-7,13-14,21-22,29-30H,8-12,15-20H2,1-5H3;6-7,9-10,13-14H,8,11-12H2,1-5H3,(H,27,28)(H,29,30)
InChIKeyUPZKJWJZLPLING-UHFFFAOYSA-N
XLogP14.20
TPSA137.24 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500967.32
LogP ≤ 514.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 3-[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-1-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]isoquinoline;3-(5-tert-butyl-1H-pyrazol-3-yl)-1-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(Z)-1-[6-[3-[6-[(Z)-1-azanidyl-3-iminobut-1-enyl]-2-pyridinyl]phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;4-(6-bromo-2-pyridinyl)-1,1,1-trifluoro-4-(oxan-2-ylimino)but-2-en-2-amine;platinum(2+);1,1,1-trifluoro-4-imino-4-[6-[3-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]-2-pyridinyl]but-2-en-2-amine;1,1,1-trifluoro-4-[6-[3-[6-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]phenyl]-2-pyridinyl]-4-(oxan-2-ylimino)but-2-en-2-amine
CID 158564185
1,3-bis[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]isoquinoline
CID 126578312
1,3-Bis[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]isoquinoline
CID 126578315
3-[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-1-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]isoquinoline
CID 126578318
3-[6-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]-2-pyridinyl]-7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazole
CID 126578320
[3-[1-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]isoquinolin-3-yl]-7,7-dimethyl-5,6-dihydro-4H-indazol-2-yl]phosphane
CID 126598359
1-[3-Tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-3-[3-(2-methylbutan-2-yl)-1-(oxan-2-yl)pyrazol-5-yl]isoquinoline
CID 156175360
2-bromo-6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]pyridine;2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[5-[6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]-2,4-dimethylphenyl]pyridine;2-(5-ethyl-4-methylpyrazol-2-id-3-yl)-6-[5-[6-(5-ethyl-4-methylpyrazol-2-id-3-yl)-2-pyridinyl]-2,4-dimethylphenyl]pyridine;2-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-6-[5-[6-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-2-pyridinyl]-2,4-dimethylphenyl]pyridine;platinum(2+)
CID 157227811
2-[N-(oxan-2-yl)-C-[6-[2-[6-[2-(oxan-2-yl)-4,5,6,7-tetrahydroindazol-3-yl]-2-pyridinyl]phenyl]-2-pyridinyl]carbonimidoyl]cyclohexen-1-amine
CID 157528163
1,3-bis[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]isoquinoline;1,3-bis(5-tert-butyl-1H-pyrazol-3-yl)isoquinoline
CID 157752754
2,6-bis[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]pyridine;2,6-bis(5-tert-butyl-1H-pyrazol-3-yl)pyridine
CID 157876133
[(Z)-1-[6-[3-[6-[(Z)-1-azanidyl-3-imino-2-methylpent-1-enyl]-2-pyridinyl]phenyl]-2-pyridinyl]-3-imino-2-methylpent-1-enyl]azanide;1-(6-bromo-2-pyridinyl)-2-methyl-1-(oxan-2-ylimino)pent-2-en-3-amine;1-[6-[3-[6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]phenyl]-2-pyridinyl]-2-methyl-1-(oxan-2-ylimino)pent-2-en-3-amine;1-[6-[3-[6-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-1-imino-2-methylpent-2-en-3-amine;platinum(2+)
CID 158429178

Frequently Asked Questions

What is the IUPAC name of 3-[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-1-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]isoquinoline;3-(5-tert-butyl-1H-pyrazol-3-yl)-1-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)isoquinoline?
The IUPAC name of 3-[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-1-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]isoquinoline;3-(5-tert-butyl-1H-pyrazol-3-yl)-1-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)isoquinoline (CID 161161567) is 3-[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-1-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]isoquinoline;3-(5-tert-butyl-1H-pyrazol-3-yl)-1-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)isoquinoline.
What is the SMILES notation for 3-[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-1-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]isoquinoline;3-(5-tert-butyl-1H-pyrazol-3-yl)-1-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)isoquinoline?
The canonical SMILES for 3-[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-1-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]isoquinoline;3-(5-tert-butyl-1H-pyrazol-3-yl)-1-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)isoquinoline is CC(C)(C)c1cc(-c2cc3ccccc3c(-c3c4c(nn3C3CCCCO3)C(C)(C)CCC4)n2)n(C2CCCCO2)n1.CC(C)(C)c1cc(-c2cc3ccccc3c(-c3n[nH]c4c3CCCC4(C)C)n2)n[nH]1.
What is the InChIKey of 3-[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-1-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]isoquinoline;3-(5-tert-butyl-1H-pyrazol-3-yl)-1-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)isoquinoline?
The InChIKey is UPZKJWJZLPLING-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H45N5O2.C25H29N5/c1-34(2,3)28-22-27(39(37-28)29-16-8-10-19-41-29)26-21-23-13-6-7-14-24(23)31(36-26)32-25-15-12-18-35(4,5)33(25)38-40(32)30-17-9-11-20-42-30;1-24(2,3)20-14-19(27-28-20)18-13-15-9-6-7-10-16(15)21(26-18)22-17-11-8-12-25(4,5)23(17)30-29-22/h6-7,13-14,21-22,29-30H,8-12,15-20H2,1-5H3;6-7,9-10,13-14H,8,11-12H2,1-5H3,(H,27,28)(H,29,30).
What are the key properties of 3-[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-1-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]isoquinoline;3-(5-tert-butyl-1H-pyrazol-3-yl)-1-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)isoquinoline?
3-[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-1-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]isoquinoline;3-(5-tert-butyl-1H-pyrazol-3-yl)-1-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)isoquinoline has a molecular weight of 967.32 g/mol, XLogP of 14.20, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-1-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]isoquinoline;3-(5-tert-butyl-1H-pyrazol-3-yl)-1-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)isoquinoline is sourced from PubChem (CID 161161567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).