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]propan-2-ol

C23H27N7O2S — CID 86275627

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]propan-2-ol
SMILESCOc1nc(-c2csc(Nc3c4c(nn3CC(C)O)CCCC4)n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H27N7O2S/c1-14-10-29(13-24-14)20-9-8-18(25-22(20)32-3)19-12-33-23(26-19)27-21-16-6-4-5-7-17(16)28-30(21)11-15(2)31/h8-10,12-13,15,31H,4-7,11H2,1-3H3,(H,26,27)
InChIKeyAYCIHBFJGMGYOH-UHFFFAOYSA-N
MW465.58 g/mol
LogP3.91
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]propan-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]propan-2-ol (PubChem CID 86275627) has the molecular formula C23H27N7O2S and a molecular weight of 465.58 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]propan-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]propan-2-ol
PubChem CID86275627
Molecular FormulaC23H27N7O2S
Molecular Weight465.58 g/mol
Exact Mass465.19
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]propan-2-ol
SMILESCOc1nc(-c2csc(Nc3c4c(nn3CC(C)O)CCCC4)n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H27N7O2S/c1-14-10-29(13-24-14)20-9-8-18(25-22(20)32-3)19-12-33-23(26-19)27-21-16-6-4-5-7-17(16)28-30(21)11-15(2)31/h8-10,12-13,15,31H,4-7,11H2,1-3H3,(H,26,27)
InChIKeyAYCIHBFJGMGYOH-UHFFFAOYSA-N
XLogP3.91
TPSA102.91 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 53.91
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]propan-2-ol with MolForge

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Related Compounds

4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-propyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine
CID 162648939
4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-2-(10-methylidene-7,8,12-triazatricyclo[6.4.0.02,6]dodeca-1,6-dien-12-yl)-1,3-thiazole
CID 86272043
N-[1-ethyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
CID 118684958
N-(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
CID 162673781
N-[1-(2-fluoroethyl)-3-(1-methylcyclopropyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
CID 86275630
2-[1-[4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-yl]-3,4,7,8,9,10-hexahydro-2H-pyrimido[1,2-b]indazol-4-yl]propan-2-ol
CID 118684978
[6-[6-[(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)amino]-2-pyridinyl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
CID 118685007
N-(2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;N-(2-ethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine;2-(3,4,7,8,9,10-hexahydro-2H-pyrimido[1,2-b]indazol-1-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazole;bis(4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-2-(3-methyl-3,4,7,8,9,10-hexahydro-2H-pyrimido[1,2-b]indazol-1-yl)-1,3-thiazole);4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[1-methyl-3-[1-(trifluoromethyl)cyclopropyl]pyrazol-5-yl]-1,3-thiazol-2-amine
CID 160793332
N-[(2R)-butan-2-yl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine
CID 134391564
3-[(2R)-2,3-dimethylbutyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazine;2-methylpropane
CID 162065678
N-cyclohexyl-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine
CID 134391643
N-(5-chloro-2-methylphenyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine
CID 91109730

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]propan-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]propan-2-ol (CID 86275627) 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]propan-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]propan-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]propan-2-ol is COc1nc(-c2csc(Nc3c4c(nn3CC(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]propan-2-ol?
The InChIKey is AYCIHBFJGMGYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O2S/c1-14-10-29(13-24-14)20-9-8-18(25-22(20)32-3)19-12-33-23(26-19)27-21-16-6-4-5-7-17(16)28-30(21)11-15(2)31/h8-10,12-13,15,31H,4-7,11H2,1-3H3,(H,26,27).
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]propan-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]propan-2-ol has a molecular weight of 465.58 g/mol, XLogP of 3.91, 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]propan-2-ol is sourced from PubChem (CID 86275627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).