2-methyl-5-[4-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperazin-1-yl]-1,3-thiazole

C23H26N6OS — CID 90400775

IUPAC2-methyl-5-[4-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperazin-1-yl]-1,3-thiazole
SMILESCc1ncc(N2CCN(c3cc(-c4n[nH]c5ccc(OC(C)C)cc45)ccn3)CC2)s1
InChIInChI=1S/C23H26N6OS/c1-15(2)30-18-4-5-20-19(13-18)23(27-26-20)17-6-7-24-21(12-17)28-8-10-29(11-9-28)22-14-25-16(3)31-22/h4-7,12-15H,8-11H2,1-3H3,(H,26,27)
InChIKeyFVCNELSUMZGUOM-UHFFFAOYSA-N
MW434.57 g/mol
LogP4.50
Rot. Bonds5

About 2-methyl-5-[4-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperazin-1-yl]-1,3-thiazole

2-methyl-5-[4-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperazin-1-yl]-1,3-thiazole (PubChem CID 90400775) has the molecular formula C23H26N6OS and a molecular weight of 434.57 g/mol. Its IUPAC name is 2-methyl-5-[4-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-5-[4-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperazin-1-yl]-1,3-thiazole
PubChem CID90400775
Molecular FormulaC23H26N6OS
Molecular Weight434.57 g/mol
Exact Mass434.19
IUPAC Name2-methyl-5-[4-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperazin-1-yl]-1,3-thiazole
SMILESCc1ncc(N2CCN(c3cc(-c4n[nH]c5ccc(OC(C)C)cc45)ccn3)CC2)s1
InChIInChI=1S/C23H26N6OS/c1-15(2)30-18-4-5-20-19(13-18)23(27-26-20)17-6-7-24-21(12-17)28-8-10-29(11-9-28)22-14-25-16(3)31-22/h4-7,12-15H,8-11H2,1-3H3,(H,26,27)
InChIKeyFVCNELSUMZGUOM-UHFFFAOYSA-N
XLogP4.50
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 2-methyl-5-[4-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperazin-1-yl]-1,3-thiazole (CID 90400775) is 2-methyl-5-[4-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-5-[4-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-methyl-5-[4-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperazin-1-yl]-1,3-thiazole is Cc1ncc(N2CCN(c3cc(-c4n[nH]c5ccc(OC(C)C)cc45)ccn3)CC2)s1.
What is the InChIKey of 2-methyl-5-[4-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperazin-1-yl]-1,3-thiazole?
The InChIKey is FVCNELSUMZGUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6OS/c1-15(2)30-18-4-5-20-19(13-18)23(27-26-20)17-6-7-24-21(12-17)28-8-10-29(11-9-28)22-14-25-16(3)31-22/h4-7,12-15H,8-11H2,1-3H3,(H,26,27).
What are the key properties of 2-methyl-5-[4-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperazin-1-yl]-1,3-thiazole?
2-methyl-5-[4-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperazin-1-yl]-1,3-thiazole has a molecular weight of 434.57 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 90400775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).