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2-ethyl-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]azetidin-3-ol

C24H23N7O — CID 151695730

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-ethyl-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]azetidin-3-ol
SMILESCCC1C(O)CN1c1ccc(Nc2nc(-c3ccc4cn[nH]c4c3)cn3ccnc23)cc1
InChIInChI=1S/C24H23N7O/c1-2-21-22(32)14-31(21)18-7-5-17(6-8-18)27-23-24-25-9-10-30(24)13-20(28-23)15-3-4-16-12-26-29-19(16)11-15/h3-13,21-22,32H,2,14H2,1H3,(H,26,29)(H,27,28)
InChIKeyRDMYTVBSQJPBOC-UHFFFAOYSA-N
MW425.50 g/mol
LogP3.98
Rot. Bonds5

About 2-ethyl-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]azetidin-3-ol

2-ethyl-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]azetidin-3-ol (PubChem CID 151695730) has the molecular formula C24H23N7O and a molecular weight of 425.50 g/mol. Its IUPAC name is 2-ethyl-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]azetidin-3-ol.

Molecular Properties

Compound Name2-ethyl-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]azetidin-3-ol
PubChem CID151695730
Molecular FormulaC24H23N7O
Molecular Weight425.50 g/mol
Exact Mass425.20
IUPAC Name2-ethyl-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]azetidin-3-ol
SMILESCCC1C(O)CN1c1ccc(Nc2nc(-c3ccc4cn[nH]c4c3)cn3ccnc23)cc1
InChIInChI=1S/C24H23N7O/c1-2-21-22(32)14-31(21)18-7-5-17(6-8-18)27-23-24-25-9-10-30(24)13-20(28-23)15-3-4-16-12-26-29-19(16)11-15/h3-13,21-22,32H,2,14H2,1H3,(H,26,29)(H,27,28)
InChIKeyRDMYTVBSQJPBOC-UHFFFAOYSA-N
XLogP3.98
TPSA94.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]azetidin-3-ol?
The IUPAC name of 2-ethyl-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]azetidin-3-ol (CID 151695730) is 2-ethyl-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]azetidin-3-ol.
What is the SMILES notation for 2-ethyl-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]azetidin-3-ol?
The canonical SMILES for 2-ethyl-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]azetidin-3-ol is CCC1C(O)CN1c1ccc(Nc2nc(-c3ccc4cn[nH]c4c3)cn3ccnc23)cc1.
What is the InChIKey of 2-ethyl-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]azetidin-3-ol?
The InChIKey is RDMYTVBSQJPBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O/c1-2-21-22(32)14-31(21)18-7-5-17(6-8-18)27-23-24-25-9-10-30(24)13-20(28-23)15-3-4-16-12-26-29-19(16)11-15/h3-13,21-22,32H,2,14H2,1H3,(H,26,29)(H,27,28).
What are the key properties of 2-ethyl-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]azetidin-3-ol?
2-ethyl-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]azetidin-3-ol has a molecular weight of 425.50 g/mol, XLogP of 3.98, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]azetidin-3-ol is sourced from PubChem (CID 151695730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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