2-[4-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-1,3-oxazole

C26H24N6O — CID 146274381

IUPAC2-[4-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-1,3-oxazole
SMILESCN1CCN(c2ccc(-c3cnc4[nH]cc(-c5ccc(-c6ncco6)cc5)c4n3)cc2)CC1
InChIInChI=1S/C26H24N6O/c1-31-11-13-32(14-12-31)21-8-6-19(7-9-21)23-17-29-25-24(30-23)22(16-28-25)18-2-4-20(5-3-18)26-27-10-15-33-26/h2-10,15-17H,11-14H2,1H3,(H,28,29)
InChIKeyNBVJDKKMDIWTCL-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.70
Rot. Bonds4

About 2-[4-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-1,3-oxazole

2-[4-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-1,3-oxazole (PubChem CID 146274381) has the molecular formula C26H24N6O and a molecular weight of 436.52 g/mol. Its IUPAC name is 2-[4-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[4-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-1,3-oxazole
PubChem CID146274381
Molecular FormulaC26H24N6O
Molecular Weight436.52 g/mol
Exact Mass436.20
IUPAC Name2-[4-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-1,3-oxazole
SMILESCN1CCN(c2ccc(-c3cnc4[nH]cc(-c5ccc(-c6ncco6)cc5)c4n3)cc2)CC1
InChIInChI=1S/C26H24N6O/c1-31-11-13-32(14-12-31)21-8-6-19(7-9-21)23-17-29-25-24(30-23)22(16-28-25)18-2-4-20(5-3-18)26-27-10-15-33-26/h2-10,15-17H,11-14H2,1H3,(H,28,29)
InChIKeyNBVJDKKMDIWTCL-UHFFFAOYSA-N
XLogP4.70
TPSA74.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-1,3-oxazole
CID 146274463
2-[4-(4-methylpiperazin-1-yl)phenyl]-7-[4-(1-methylpyrazol-4-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine
CID 146274382
[4-[2-[3,5-dimethyl-4-(4-methylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-morpholin-4-ylmethanone
CID 146274685
7-(3-tert-butylbenzimidazol-5-yl)-2-[4-(4-ethylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine
CID 122608698
3-iodo-5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 138754280
4-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylbenzamide
CID 146274656
1-[2-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one
CID 59540906
4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid
CID 151646717
7-(6-piperidin-1-yl-3-pyridinyl)-2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazine
CID 90105575
3-[4-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-1,3-oxazolidin-2-one
CID 155457394
4-[2-[3,5-dimethyl-4-(4-methylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 146274836
3,5-dimethyl-4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole
CID 175584716

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-1,3-oxazole?
The IUPAC name of 2-[4-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-1,3-oxazole (CID 146274381) is 2-[4-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-1,3-oxazole.
What is the SMILES notation for 2-[4-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-1,3-oxazole?
The canonical SMILES for 2-[4-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-1,3-oxazole is CN1CCN(c2ccc(-c3cnc4[nH]cc(-c5ccc(-c6ncco6)cc5)c4n3)cc2)CC1.
What is the InChIKey of 2-[4-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-1,3-oxazole?
The InChIKey is NBVJDKKMDIWTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O/c1-31-11-13-32(14-12-31)21-8-6-19(7-9-21)23-17-29-25-24(30-23)22(16-28-25)18-2-4-20(5-3-18)26-27-10-15-33-26/h2-10,15-17H,11-14H2,1H3,(H,28,29).
What are the key properties of 2-[4-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-1,3-oxazole?
2-[4-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-1,3-oxazole has a molecular weight of 436.52 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-1,3-oxazole is sourced from PubChem (CID 146274381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).