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

C25H29N7O2S — CID 162675367

IUPAC4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(oxan-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine
SMILESCOc1nc(-c2csc(Nc3c4c(nn3C3CCOCC3)CCCC4)n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H29N7O2S/c1-16-13-31(15-26-16)22-8-7-20(27-24(22)33-2)21-14-35-25(28-21)29-23-18-5-3-4-6-19(18)30-32(23)17-9-11-34-12-10-17/h7-8,13-15,17H,3-6,9-12H2,1-2H3,(H,28,29)
InChIKeyYHRZIVOLPILVOW-UHFFFAOYSA-N
MW491.62 g/mol
LogP4.88
Rot. Bonds6

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

4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(oxan-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine (PubChem CID 162675367) has the molecular formula C25H29N7O2S and a molecular weight of 491.62 g/mol. Its IUPAC name is 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(oxan-4-yl)-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-(oxan-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine
PubChem CID162675367
Molecular FormulaC25H29N7O2S
Molecular Weight491.62 g/mol
Exact Mass491.21
IUPAC Name4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(oxan-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine
SMILESCOc1nc(-c2csc(Nc3c4c(nn3C3CCOCC3)CCCC4)n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H29N7O2S/c1-16-13-31(15-26-16)22-8-7-20(27-24(22)33-2)21-14-35-25(28-21)29-23-18-5-3-4-6-19(18)30-32(23)17-9-11-34-12-10-17/h7-8,13-15,17H,3-6,9-12H2,1-2H3,(H,28,29)
InChIKeyYHRZIVOLPILVOW-UHFFFAOYSA-N
XLogP4.88
TPSA91.91 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.62
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(oxan-4-yl)-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-(oxan-4-yl)-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-(oxan-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine (CID 162675367) is 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(oxan-4-yl)-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-(oxan-4-yl)-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-(oxan-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine is COc1nc(-c2csc(Nc3c4c(nn3C3CCOCC3)CCCC4)n2)ccc1-n1cnc(C)c1.
What is the InChIKey of 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(oxan-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine?
The InChIKey is YHRZIVOLPILVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2S/c1-16-13-31(15-26-16)22-8-7-20(27-24(22)33-2)21-14-35-25(28-21)29-23-18-5-3-4-6-19(18)30-32(23)17-9-11-34-12-10-17/h7-8,13-15,17H,3-6,9-12H2,1-2H3,(H,28,29).
What are the key properties of 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(oxan-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine?
4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(oxan-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine has a molecular weight of 491.62 g/mol, XLogP of 4.88, 6 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-(oxan-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 162675367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).