(NE)-N-[5-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine

C16H15N5O — CID 135510620

IUPAC(NE)-N-[5-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESCc1nc2cnccn2c1Nc1ccc2c(c1)CC/C2=N\O
InChIInChI=1S/C16H15N5O/c1-10-16(21-7-6-17-9-15(21)18-10)19-12-3-4-13-11(8-12)2-5-14(13)20-22/h3-4,6-9,19,22H,2,5H2,1H3/b20-14+
InChIKeyKBOGBIALWDTZNU-XSFVSMFZSA-N
MW293.33 g/mol
LogP2.91
Rot. Bonds2

About (NE)-N-[5-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine

(NE)-N-[5-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine (PubChem CID 135510620) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is (NE)-N-[5-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[5-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
PubChem CID135510620
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name(NE)-N-[5-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESCc1nc2cnccn2c1Nc1ccc2c(c1)CC/C2=N\O
InChIInChI=1S/C16H15N5O/c1-10-16(21-7-6-17-9-15(21)18-10)19-12-3-4-13-11(8-12)2-5-14(13)20-22/h3-4,6-9,19,22H,2,5H2,1H3/b20-14+
InChIKeyKBOGBIALWDTZNU-XSFVSMFZSA-N
XLogP2.91
TPSA74.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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
N-[3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-4-methylphenyl]acetamide
CID 135510543
4-[3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]benzonitrile
CID 135510576
(NE)-N-[5-[(2-quinolin-2-ylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 135510599
(NE)-N-[5-[[2-(3H-azepin-7-yl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 143334422
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
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-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone
CID 158883882
(NE)-N-[5-(thieno[2,3-c]pyridin-3-ylamino)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 141171263
(NZ)-N-[5-(thieno[2,3-c]pyridin-3-ylamino)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 53325802
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
N-[5-[[2-(6-methyl-2-pyridinyl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 137231015

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[5-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[5-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine (CID 135510620) is (NE)-N-[5-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[5-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[5-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine is Cc1nc2cnccn2c1Nc1ccc2c(c1)CC/C2=N\O.
What is the InChIKey of (NE)-N-[5-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The InChIKey is KBOGBIALWDTZNU-XSFVSMFZSA-N. The full InChI is InChI=1S/C16H15N5O/c1-10-16(21-7-6-17-9-15(21)18-10)19-12-3-4-13-11(8-12)2-5-14(13)20-22/h3-4,6-9,19,22H,2,5H2,1H3/b20-14+.
What are the key properties of (NE)-N-[5-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
(NE)-N-[5-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine has a molecular weight of 293.33 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[5-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine is sourced from PubChem (CID 135510620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).