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

C22H19N7O — CID 59473365

IUPAC1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]azetidin-3-ol
SMILESOC1CN(c2ccc(Nc3nc(-c4ccc5cn[nH]c5c4)cn4ccnc34)cc2)C1
InChIInChI=1S/C22H19N7O/c30-18-11-29(12-18)17-5-3-16(4-6-17)25-21-22-23-7-8-28(22)13-20(26-21)14-1-2-15-10-24-27-19(15)9-14/h1-10,13,18,30H,11-12H2,(H,24,27)(H,25,26)
InChIKeyPRFXFFBSCJDVDB-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.20
Rot. Bonds4

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

1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]azetidin-3-ol (PubChem CID 59473365) has the molecular formula C22H19N7O and a molecular weight of 397.44 g/mol. Its IUPAC name is 1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]azetidin-3-ol
PubChem CID59473365
Molecular FormulaC22H19N7O
Molecular Weight397.44 g/mol
Exact Mass397.17
IUPAC Name1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]azetidin-3-ol
SMILESOC1CN(c2ccc(Nc3nc(-c4ccc5cn[nH]c5c4)cn4ccnc34)cc2)C1
InChIInChI=1S/C22H19N7O/c30-18-11-29(12-18)17-5-3-16(4-6-17)25-21-22-23-7-8-28(22)13-20(26-21)14-1-2-15-10-24-27-19(15)9-14/h1-10,13,18,30H,11-12H2,(H,24,27)(H,25,26)
InChIKeyPRFXFFBSCJDVDB-UHFFFAOYSA-N
XLogP3.20
TPSA94.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]azetidin-3-ol?
The IUPAC name of 1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]azetidin-3-ol (CID 59473365) is 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 1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]azetidin-3-ol?
The canonical SMILES for 1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]azetidin-3-ol is OC1CN(c2ccc(Nc3nc(-c4ccc5cn[nH]c5c4)cn4ccnc34)cc2)C1.
What is the InChIKey of 1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]azetidin-3-ol?
The InChIKey is PRFXFFBSCJDVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O/c30-18-11-29(12-18)17-5-3-16(4-6-17)25-21-22-23-7-8-28(22)13-20(26-21)14-1-2-15-10-24-27-19(15)9-14/h1-10,13,18,30H,11-12H2,(H,24,27)(H,25,26).
What are the key properties of 1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]azetidin-3-ol?
1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]azetidin-3-ol has a molecular weight of 397.44 g/mol, XLogP of 3.20, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]azetidin-3-ol is sourced from PubChem (CID 59473365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).