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

C23H27N7OS — CID 162648939

IUPAC4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-propyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine
SMILESCCCn1nc2c(c1Nc1nc(-c3ccc(-n4cnc(C)c4)c(OC)n3)cs1)CCCC2
InChIInChI=1S/C23H27N7OS/c1-4-11-30-21(16-7-5-6-8-17(16)28-30)27-23-26-19(13-32-23)18-9-10-20(22(25-18)31-3)29-12-15(2)24-14-29/h9-10,12-14H,4-8,11H2,1-3H3,(H,26,27)
InChIKeyXVQNJTAHVYTMHH-UHFFFAOYSA-N
MW449.58 g/mol
LogP4.94
Rot. Bonds7

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

4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-propyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine (PubChem CID 162648939) has the molecular formula C23H27N7OS and a molecular weight of 449.58 g/mol. Its IUPAC name is 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-propyl-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-propyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine
PubChem CID162648939
Molecular FormulaC23H27N7OS
Molecular Weight449.58 g/mol
Exact Mass449.20
IUPAC Name4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-propyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine
SMILESCCCn1nc2c(c1Nc1nc(-c3ccc(-n4cnc(C)c4)c(OC)n3)cs1)CCCC2
InChIInChI=1S/C23H27N7OS/c1-4-11-30-21(16-7-5-6-8-17(16)28-30)27-23-26-19(13-32-23)18-9-10-20(22(25-18)31-3)29-12-15(2)24-14-29/h9-10,12-14H,4-8,11H2,1-3H3,(H,26,27)
InChIKeyXVQNJTAHVYTMHH-UHFFFAOYSA-N
XLogP4.94
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.94
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-propyl-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-propyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine (CID 162648939) is 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-propyl-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-propyl-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-propyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine is CCCn1nc2c(c1Nc1nc(-c3ccc(-n4cnc(C)c4)c(OC)n3)cs1)CCCC2.
What is the InChIKey of 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-propyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine?
The InChIKey is XVQNJTAHVYTMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7OS/c1-4-11-30-21(16-7-5-6-8-17(16)28-30)27-23-26-19(13-32-23)18-9-10-20(22(25-18)31-3)29-12-15(2)24-14-29/h9-10,12-14H,4-8,11H2,1-3H3,(H,26,27).
What are the key properties of 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-propyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine?
4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-propyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine has a molecular weight of 449.58 g/mol, XLogP of 4.94, 7 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-propyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 162648939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).