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

C21H24N8OS — CID 56592450

IUPACN-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)pyrazin-2-yl]-1,3-thiazol-2-amine
SMILESCCn1nc2c(c1Nc1nc(-c3cnc(-n4cnc(C)c4)c(OC)n3)cs1)CCCC2
InChIInChI=1S/C21H24N8OS/c1-4-29-18(14-7-5-6-8-15(14)27-29)26-21-25-17(11-31-21)16-9-22-19(20(24-16)30-3)28-10-13(2)23-12-28/h9-12H,4-8H2,1-3H3,(H,25,26)
InChIKeyCYBNTZJZXOOSRV-UHFFFAOYSA-N
MW436.55 g/mol
LogP3.94
Rot. Bonds6

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

N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)pyrazin-2-yl]-1,3-thiazol-2-amine (PubChem CID 56592450) has the molecular formula C21H24N8OS and a molecular weight of 436.55 g/mol. Its IUPAC name is N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)pyrazin-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)pyrazin-2-yl]-1,3-thiazol-2-amine
PubChem CID56592450
Molecular FormulaC21H24N8OS
Molecular Weight436.55 g/mol
Exact Mass436.18
IUPAC NameN-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)pyrazin-2-yl]-1,3-thiazol-2-amine
SMILESCCn1nc2c(c1Nc1nc(-c3cnc(-n4cnc(C)c4)c(OC)n3)cs1)CCCC2
InChIInChI=1S/C21H24N8OS/c1-4-29-18(14-7-5-6-8-15(14)27-29)26-21-25-17(11-31-21)16-9-22-19(20(24-16)30-3)28-10-13(2)23-12-28/h9-12H,4-8H2,1-3H3,(H,25,26)
InChIKeyCYBNTZJZXOOSRV-UHFFFAOYSA-N
XLogP3.94
TPSA95.57 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)pyrazin-2-yl]-1,3-thiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)pyrazin-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)pyrazin-2-yl]-1,3-thiazol-2-amine (CID 56592450) is N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)pyrazin-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)pyrazin-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)pyrazin-2-yl]-1,3-thiazol-2-amine is CCn1nc2c(c1Nc1nc(-c3cnc(-n4cnc(C)c4)c(OC)n3)cs1)CCCC2.
What is the InChIKey of N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)pyrazin-2-yl]-1,3-thiazol-2-amine?
The InChIKey is CYBNTZJZXOOSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8OS/c1-4-29-18(14-7-5-6-8-15(14)27-29)26-21-25-17(11-31-21)16-9-22-19(20(24-16)30-3)28-10-13(2)23-12-28/h9-12H,4-8H2,1-3H3,(H,25,26).
What are the key properties of N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)pyrazin-2-yl]-1,3-thiazol-2-amine?
N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)pyrazin-2-yl]-1,3-thiazol-2-amine has a molecular weight of 436.55 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)pyrazin-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 56592450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).