[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone

C26H24N6O3 — CID 158883882

IUPAC[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CCC3=NO)cc1)N1CCOCC1
InChIInChI=1S/C26H24N6O3/c33-26(31-11-13-35-14-12-31)18-3-1-17(2-4-18)24-25(32-10-9-27-16-23(32)29-24)28-20-6-7-21-19(15-20)5-8-22(21)30-34/h1-4,6-7,9-10,15-16,28,34H,5,8,11-14H2
InChIKeyJDJGQVHPAWPVJC-UHFFFAOYSA-N
MW468.52 g/mol
LogP3.74
Rot. Bonds4

About [4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone

[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 158883882) has the molecular formula C26H24N6O3 and a molecular weight of 468.52 g/mol. Its IUPAC name is [4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID158883882
Molecular FormulaC26H24N6O3
Molecular Weight468.52 g/mol
Exact Mass468.19
IUPAC Name[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CCC3=NO)cc1)N1CCOCC1
InChIInChI=1S/C26H24N6O3/c33-26(31-11-13-35-14-12-31)18-3-1-17(2-4-18)24-25(32-10-9-27-16-23(32)29-24)28-20-6-7-21-19(15-20)5-8-22(21)30-34/h1-4,6-7,9-10,15-16,28,34H,5,8,11-14H2
InChIKeyJDJGQVHPAWPVJC-UHFFFAOYSA-N
XLogP3.74
TPSA104.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone (CID 158883882) is [4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone is O=C(c1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CCC3=NO)cc1)N1CCOCC1.
What is the InChIKey of [4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is JDJGQVHPAWPVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O3/c33-26(31-11-13-35-14-12-31)18-3-1-17(2-4-18)24-25(32-10-9-27-16-23(32)29-24)28-20-6-7-21-19(15-20)5-8-22(21)30-34/h1-4,6-7,9-10,15-16,28,34H,5,8,11-14H2.
What are the key properties of [4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone?
[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 468.52 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 158883882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).