4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine

C21H23N7OS — CID 56592448

IUPAC4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine
SMILESCOc1nc(-c2csc(Nc3c4c(nn3C)CCCC4)n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C21H23N7OS/c1-13-10-28(12-22-13)18-9-8-16(23-20(18)29-3)17-11-30-21(24-17)25-19-14-6-4-5-7-15(14)26-27(19)2/h8-12H,4-7H2,1-3H3,(H,24,25)
InChIKeyWFKMREWCSQWCHS-UHFFFAOYSA-N
MW421.53 g/mol
LogP4.06
Rot. Bonds5

About 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine

4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine (PubChem CID 56592448) has the molecular formula C21H23N7OS and a molecular weight of 421.53 g/mol. Its IUPAC name is 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine
PubChem CID56592448
Molecular FormulaC21H23N7OS
Molecular Weight421.53 g/mol
Exact Mass421.17
IUPAC Name4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine
SMILESCOc1nc(-c2csc(Nc3c4c(nn3C)CCCC4)n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C21H23N7OS/c1-13-10-28(12-22-13)18-9-8-16(23-20(18)29-3)17-11-30-21(24-17)25-19-14-6-4-5-7-15(14)26-27(19)2/h8-12H,4-7H2,1-3H3,(H,24,25)
InChIKeyWFKMREWCSQWCHS-UHFFFAOYSA-N
XLogP4.06
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine (CID 56592448) is 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine is COc1nc(-c2csc(Nc3c4c(nn3C)CCCC4)n2)ccc1-n1cnc(C)c1.
What is the InChIKey of 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine?
The InChIKey is WFKMREWCSQWCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7OS/c1-13-10-28(12-22-13)18-9-8-16(23-20(18)29-3)17-11-30-21(24-17)25-19-14-6-4-5-7-15(14)26-27(19)2/h8-12H,4-7H2,1-3H3,(H,24,25).
What are the key properties of 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine?
4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine has a molecular weight of 421.53 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 56592448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).