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

C26H24N6O2 — CID 89172920

IUPAC[4-[3-[(1-imino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone
SMILES[H]/N=C1\CCc2cc(Nc3c(-c4ccc(C(=O)N5CCOCC5)cc4)nc4cnccn34)ccc21
InChIInChI=1S/C26H24N6O2/c27-22-8-5-19-15-20(6-7-21(19)22)29-25-24(30-23-16-28-9-10-32(23)25)17-1-3-18(4-2-17)26(33)31-11-13-34-14-12-31/h1-4,6-7,9-10,15-16,27,29H,5,8,11-14H2/b27-22+
InChIKeyHMGSSSDCLKVWFG-HPNDGRJYSA-N
MW452.52 g/mol
LogP3.93
Rot. Bonds4

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

[4-[3-[(1-imino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 89172920) has the molecular formula C26H24N6O2 and a molecular weight of 452.52 g/mol. Its IUPAC name is [4-[3-[(1-imino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[3-[(1-imino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID89172920
Molecular FormulaC26H24N6O2
Molecular Weight452.52 g/mol
Exact Mass452.20
IUPAC Name[4-[3-[(1-imino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone
SMILES[H]/N=C1\CCc2cc(Nc3c(-c4ccc(C(=O)N5CCOCC5)cc4)nc4cnccn34)ccc21
InChIInChI=1S/C26H24N6O2/c27-22-8-5-19-15-20(6-7-21(19)22)29-25-24(30-23-16-28-9-10-32(23)25)17-1-3-18(4-2-17)26(33)31-11-13-34-14-12-31/h1-4,6-7,9-10,15-16,27,29H,5,8,11-14H2/b27-22+
InChIKeyHMGSSSDCLKVWFG-HPNDGRJYSA-N
XLogP3.93
TPSA95.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone
CID 158883882
methyl 2-[4-[3-[(1-imino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]acetate
CID 89172985
[4-[[2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]phenyl]-piperidin-1-ylmethanone
CID 53207752
(NE)-N-[5-[[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;N-[5-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenyl]acetamide;[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone;(NE)-N-[5-[(2-pyridin-3-ylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NE)-N-[5-[(2-quinolin-2-ylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 172948683
methyl 4-[3-(1,3-benzodioxol-5-ylamino)imidazo[1,2-a]pyrazin-2-yl]benzoate
CID 53003281
4-[3-(1,3-benzodioxol-5-ylamino)imidazo[1,2-a]pyrazin-2-yl]phenol
CID 135482448
2-(4-aminophenyl)-N-(2,3-dihydro-1H-inden-5-yl)imidazo[1,2-a]pyrazin-3-amine
CID 141165893
3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid
CID 53207883
3-[[2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-morpholin-4-ylpropan-1-one
CID 53039750
N-(1,3-benzodioxol-5-yl)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-amine
CID 7299187
tert-butyl N-[5-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-2-pyridinyl]carbamate
CID 135510587
4-[3-(4-ethoxyanilino)imidazo[1,2-a]pyrazin-2-yl]benzoic acid
CID 53208276

Frequently Asked Questions

What is the IUPAC name of [4-[3-[(1-imino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[3-[(1-imino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone (CID 89172920) is [4-[3-[(1-imino-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-imino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[3-[(1-imino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone is [H]/N=C1\CCc2cc(Nc3c(-c4ccc(C(=O)N5CCOCC5)cc4)nc4cnccn34)ccc21.
What is the InChIKey of [4-[3-[(1-imino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is HMGSSSDCLKVWFG-HPNDGRJYSA-N. The full InChI is InChI=1S/C26H24N6O2/c27-22-8-5-19-15-20(6-7-21(19)22)29-25-24(30-23-16-28-9-10-32(23)25)17-1-3-18(4-2-17)26(33)31-11-13-34-14-12-31/h1-4,6-7,9-10,15-16,27,29H,5,8,11-14H2/b27-22+.
What are the key properties of [4-[3-[(1-imino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone?
[4-[3-[(1-imino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 452.52 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[(1-imino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 89172920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).