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

C27H34N8OS — CID 162664160

IUPAC4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine
SMILESCOc1nc(-c2csc(Nc3c4c(nn3CCN3CCCCC3)CCCC4)n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C27H34N8OS/c1-19-16-34(18-28-19)24-11-10-22(29-26(24)36-2)23-17-37-27(30-23)31-25-20-8-4-5-9-21(20)32-35(25)15-14-33-12-6-3-7-13-33/h10-11,16-18H,3-9,12-15H2,1-2H3,(H,30,31)
InChIKeyMNZZYCDJPVZENB-UHFFFAOYSA-N
MW518.69 g/mol
LogP5.01
Rot. Bonds8

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

4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine (PubChem CID 162664160) has the molecular formula C27H34N8OS and a molecular weight of 518.69 g/mol. Its IUPAC name is 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(2-piperidin-1-ylethyl)-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-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine
PubChem CID162664160
Molecular FormulaC27H34N8OS
Molecular Weight518.69 g/mol
Exact Mass518.26
IUPAC Name4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine
SMILESCOc1nc(-c2csc(Nc3c4c(nn3CCN3CCCCC3)CCCC4)n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C27H34N8OS/c1-19-16-34(18-28-19)24-11-10-22(29-26(24)36-2)23-17-37-27(30-23)31-25-20-8-4-5-9-21(20)32-35(25)15-14-33-12-6-3-7-13-33/h10-11,16-18H,3-9,12-15H2,1-2H3,(H,30,31)
InChIKeyMNZZYCDJPVZENB-UHFFFAOYSA-N
XLogP5.01
TPSA85.92 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.69
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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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-(2-piperidin-1-ylethyl)-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-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine (CID 162664160) is 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(2-piperidin-1-ylethyl)-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-(2-piperidin-1-ylethyl)-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-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine is COc1nc(-c2csc(Nc3c4c(nn3CCN3CCCCC3)CCCC4)n2)ccc1-n1cnc(C)c1.
What is the InChIKey of 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine?
The InChIKey is MNZZYCDJPVZENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N8OS/c1-19-16-34(18-28-19)24-11-10-22(29-26(24)36-2)23-17-37-27(30-23)31-25-20-8-4-5-9-21(20)32-35(25)15-14-33-12-6-3-7-13-33/h10-11,16-18H,3-9,12-15H2,1-2H3,(H,30,31).
What are the key properties of 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine?
4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine has a molecular weight of 518.69 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 162664160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).