4-[3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]benzonitrile

C22H16N6O — CID 135510576

IUPAC4-[3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CC/C3=N/O)cc1
InChIInChI=1S/C22H16N6O/c23-12-14-1-3-15(4-2-14)21-22(28-10-9-24-13-20(28)26-21)25-17-6-7-18-16(11-17)5-8-19(18)27-29/h1-4,6-7,9-11,13,25,29H,5,8H2/b27-19-
InChIKeyFCKQHCDUAVMNNK-DIBXZPPDSA-N
MW380.41 g/mol
LogP4.14
Rot. Bonds3

About 4-[3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]benzonitrile

4-[3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]benzonitrile (PubChem CID 135510576) has the molecular formula C22H16N6O and a molecular weight of 380.41 g/mol. Its IUPAC name is 4-[3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]benzonitrile
PubChem CID135510576
Molecular FormulaC22H16N6O
Molecular Weight380.41 g/mol
Exact Mass380.14
IUPAC Name4-[3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CC/C3=N/O)cc1
InChIInChI=1S/C22H16N6O/c23-12-14-1-3-15(4-2-14)21-22(28-10-9-24-13-20(28)26-21)25-17-6-7-18-16(11-17)5-8-19(18)27-29/h1-4,6-7,9-11,13,25,29H,5,8H2/b27-19-
InChIKeyFCKQHCDUAVMNNK-DIBXZPPDSA-N
XLogP4.14
TPSA98.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Related Compounds

N-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide
CID 157197195
[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone
CID 158883882
(NE)-N-[5-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 135510620
3-[2-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]pyrrol-1-yl]propanenitrile
CID 135755512
(NE)-N-[5-[[2-(3H-azepin-7-yl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 143334422
(NE)-N-[5-[(2-quinolin-2-ylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 135510599
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
N-[3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-4-methylphenyl]acetamide
CID 135510543
methyl 2-[4-[3-[(1-imino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]acetate
CID 89172985
4-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-N-methylbenzamide;N-[3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide;(NE)-N-[5-[[2-(4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NE)-N-[5-[[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NZ)-N-[5-[[2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 172957563
2-(4-aminophenyl)-N-(2,3-dihydro-1H-inden-5-yl)imidazo[1,2-a]pyrazin-3-amine
CID 141165893
N-[5-[[2-(3-aminophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;4-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenol;2-[4-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]acetic acid;2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]-N,N-dimethylacetamide;N-[3-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide
CID 172982613

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]benzonitrile?
The IUPAC name of 4-[3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]benzonitrile (CID 135510576) is 4-[3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]benzonitrile.
What is the SMILES notation for 4-[3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]benzonitrile?
The canonical SMILES for 4-[3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]benzonitrile is N#Cc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CC/C3=N/O)cc1.
What is the InChIKey of 4-[3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]benzonitrile?
The InChIKey is FCKQHCDUAVMNNK-DIBXZPPDSA-N. The full InChI is InChI=1S/C22H16N6O/c23-12-14-1-3-15(4-2-14)21-22(28-10-9-24-13-20(28)26-21)25-17-6-7-18-16(11-17)5-8-19(18)27-29/h1-4,6-7,9-11,13,25,29H,5,8H2/b27-19-.
What are the key properties of 4-[3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]benzonitrile?
4-[3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]benzonitrile has a molecular weight of 380.41 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]benzonitrile is sourced from PubChem (CID 135510576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).