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

C27H34N8O2S — CID 162664791

IUPAC4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine
SMILESCOc1nc(-c2csc(Nc3c4c(nn3CCCN3CCOCC3)CCCC4)n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C27H34N8O2S/c1-19-16-34(18-28-19)24-9-8-22(29-26(24)36-2)23-17-38-27(30-23)31-25-20-6-3-4-7-21(20)32-35(25)11-5-10-33-12-14-37-15-13-33/h8-9,16-18H,3-7,10-15H2,1-2H3,(H,30,31)
InChIKeyLHILHRWGUUNTDD-UHFFFAOYSA-N
MW534.69 g/mol
LogP4.25
Rot. Bonds9

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

4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine (PubChem CID 162664791) has the molecular formula C27H34N8O2S and a molecular weight of 534.69 g/mol. Its IUPAC name is 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(3-morpholin-4-ylpropyl)-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-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine
PubChem CID162664791
Molecular FormulaC27H34N8O2S
Molecular Weight534.69 g/mol
Exact Mass534.25
IUPAC Name4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine
SMILESCOc1nc(-c2csc(Nc3c4c(nn3CCCN3CCOCC3)CCCC4)n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C27H34N8O2S/c1-19-16-34(18-28-19)24-9-8-22(29-26(24)36-2)23-17-38-27(30-23)31-25-20-6-3-4-7-21(20)32-35(25)11-5-10-33-12-14-37-15-13-33/h8-9,16-18H,3-7,10-15H2,1-2H3,(H,30,31)
InChIKeyLHILHRWGUUNTDD-UHFFFAOYSA-N
XLogP4.25
TPSA95.15 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.69
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(3-morpholin-4-ylpropyl)-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-(3-morpholin-4-ylpropyl)-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-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine (CID 162664791) is 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(3-morpholin-4-ylpropyl)-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-(3-morpholin-4-ylpropyl)-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-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine is COc1nc(-c2csc(Nc3c4c(nn3CCCN3CCOCC3)CCCC4)n2)ccc1-n1cnc(C)c1.
What is the InChIKey of 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine?
The InChIKey is LHILHRWGUUNTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N8O2S/c1-19-16-34(18-28-19)24-9-8-22(29-26(24)36-2)23-17-38-27(30-23)31-25-20-6-3-4-7-21(20)32-35(25)11-5-10-33-12-14-37-15-13-33/h8-9,16-18H,3-7,10-15H2,1-2H3,(H,30,31).
What are the key properties of 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine?
4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine has a molecular weight of 534.69 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 162664791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).