(NE)-N-[5-[[2-(3H-azepin-7-yl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine

C21H18N6O — CID 143334422

IUPAC(NE)-N-[5-[[2-(3H-azepin-7-yl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESO/N=C1\CCc2cc(Nc3c(C4=CC=CCC=N4)nc4cnccn34)ccc21
InChIInChI=1S/C21H18N6O/c28-26-17-8-5-14-12-15(6-7-16(14)17)24-21-20(18-4-2-1-3-9-23-18)25-19-13-22-10-11-27(19)21/h1-2,4,6-7,9-13,24,28H,3,5,8H2/b26-17+
InChIKeyCUAQYWSEAVJHGW-YZSQISJMSA-N
MW370.42 g/mol
LogP3.97
Rot. Bonds3

About (NE)-N-[5-[[2-(3H-azepin-7-yl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine

(NE)-N-[5-[[2-(3H-azepin-7-yl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine (PubChem CID 143334422) has the molecular formula C21H18N6O and a molecular weight of 370.42 g/mol. Its IUPAC name is (NE)-N-[5-[[2-(3H-azepin-7-yl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[5-[[2-(3H-azepin-7-yl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
PubChem CID143334422
Molecular FormulaC21H18N6O
Molecular Weight370.42 g/mol
Exact Mass370.15
IUPAC Name(NE)-N-[5-[[2-(3H-azepin-7-yl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESO/N=C1\CCc2cc(Nc3c(C4=CC=CCC=N4)nc4cnccn34)ccc21
InChIInChI=1S/C21H18N6O/c28-26-17-8-5-14-12-15(6-7-16(14)17)24-21-20(18-4-2-1-3-9-23-18)25-19-13-22-10-11-27(19)21/h1-2,4,6-7,9-13,24,28H,3,5,8H2/b26-17+
InChIKeyCUAQYWSEAVJHGW-YZSQISJMSA-N
XLogP3.97
TPSA87.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.97
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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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[5-[[2-(3H-azepin-7-yl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[5-[[2-(3H-azepin-7-yl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine (CID 143334422) is (NE)-N-[5-[[2-(3H-azepin-7-yl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[5-[[2-(3H-azepin-7-yl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[5-[[2-(3H-azepin-7-yl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine is O/N=C1\CCc2cc(Nc3c(C4=CC=CCC=N4)nc4cnccn34)ccc21.
What is the InChIKey of (NE)-N-[5-[[2-(3H-azepin-7-yl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The InChIKey is CUAQYWSEAVJHGW-YZSQISJMSA-N. The full InChI is InChI=1S/C21H18N6O/c28-26-17-8-5-14-12-15(6-7-16(14)17)24-21-20(18-4-2-1-3-9-23-18)25-19-13-22-10-11-27(19)21/h1-2,4,6-7,9-13,24,28H,3,5,8H2/b26-17+.
What are the key properties of (NE)-N-[5-[[2-(3H-azepin-7-yl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
(NE)-N-[5-[[2-(3H-azepin-7-yl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine has a molecular weight of 370.42 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[5-[[2-(3H-azepin-7-yl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine is sourced from PubChem (CID 143334422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).