1-[3-[[4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]-2-methylpropan-2-ol

C24H29N7O2S — CID 118684960

IUPAC1-[3-[[4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]-2-methylpropan-2-ol
SMILESCOc1nc(-c2csc(Nc3c4c(nn3CC(C)(C)O)CCCC4)n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H29N7O2S/c1-15-11-30(14-25-15)20-10-9-18(26-22(20)33-4)19-12-34-23(27-19)28-21-16-7-5-6-8-17(16)29-31(21)13-24(2,3)32/h9-12,14,32H,5-8,13H2,1-4H3,(H,27,28)
InChIKeyCJZTYVZIOQGVJW-UHFFFAOYSA-N
MW479.61 g/mol
LogP4.30
Rot. Bonds7

About 1-[3-[[4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]-2-methylpropan-2-ol

1-[3-[[4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]-2-methylpropan-2-ol (PubChem CID 118684960) has the molecular formula C24H29N7O2S and a molecular weight of 479.61 g/mol. Its IUPAC name is 1-[3-[[4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[3-[[4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]-2-methylpropan-2-ol
PubChem CID118684960
Molecular FormulaC24H29N7O2S
Molecular Weight479.61 g/mol
Exact Mass479.21
IUPAC Name1-[3-[[4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]-2-methylpropan-2-ol
SMILESCOc1nc(-c2csc(Nc3c4c(nn3CC(C)(C)O)CCCC4)n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H29N7O2S/c1-15-11-30(14-25-15)20-10-9-18(26-22(20)33-4)19-12-34-23(27-19)28-21-16-7-5-6-8-17(16)29-31(21)13-24(2,3)32/h9-12,14,32H,5-8,13H2,1-4H3,(H,27,28)
InChIKeyCJZTYVZIOQGVJW-UHFFFAOYSA-N
XLogP4.30
TPSA102.91 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.61
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-[3-[[4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]-2-methylpropan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[3-[[4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]-2-methylpropan-2-ol (CID 118684960) is 1-[3-[[4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[3-[[4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[3-[[4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]-2-methylpropan-2-ol is COc1nc(-c2csc(Nc3c4c(nn3CC(C)(C)O)CCCC4)n2)ccc1-n1cnc(C)c1.
What is the InChIKey of 1-[3-[[4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]-2-methylpropan-2-ol?
The InChIKey is CJZTYVZIOQGVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2S/c1-15-11-30(14-25-15)20-10-9-18(26-22(20)33-4)19-12-34-23(27-19)28-21-16-7-5-6-8-17(16)29-31(21)13-24(2,3)32/h9-12,14,32H,5-8,13H2,1-4H3,(H,27,28).
What are the key properties of 1-[3-[[4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]-2-methylpropan-2-ol?
1-[3-[[4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]-2-methylpropan-2-ol has a molecular weight of 479.61 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 118684960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).