(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

C117H101N29O11 — CID 172948683

About (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

(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 (PubChem CID 172948683) has the molecular formula C117H101N29O11 and a molecular weight of 2089.29 g/mol. Its IUPAC name is (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.

Molecular Properties

• Compound Name: (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
• PubChem CID: 172948683
• Molecular Formula: C117H101N29O11
• Molecular Weight: 2089.29 g/mol
• Exact Mass: 2087.82
• IUPAC Name: (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
• SMILES: COc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CC/C3=N\O)cc1NC(C)=O.COc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CC/C3=N\O)cc1OC.O/N=C1\CCc2cc(Nc3c(-c4ccc5ccccc5n4)nc4cnccn34)ccc21.O/N=C1\CCc2cc(Nc3c(-c4cccnc4)nc4cnccn34)ccc21.O=C(c1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CCC3=NO)cc1)N1CCOCC1
• InChI: InChI=1S/C26H24N6O3.C24H22N6O3.C24H18N6O.C23H21N5O3.C20H16N6O/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;1-14(31)26-20-12-16(4-8-21(20)33-2)23-24(30-10-9-25-13-22(30)28-23)27-17-5-6-18-15(11-17)3-7-19(18)29-32;31-29-20-9-6-16-13-17(7-8-18(16)20)26-24-23(28-22-14-25-11-12-30(22)24)21-10-5-15-3-1-2-4-19(15)27-21;1-30-19-8-4-15(12-20(19)31-2)22-23(28-10-9-24-13-21(28)26-22)25-16-5-6-17-14(11-16)3-7-18(17)27-29;27-25-17-6-3-13-10-15(4-5-16(13)17)23-20-19(14-2-1-7-21-11-14)24-18-12-22-8-9-26(18)20/h1-4,6-7,9-10,15-16,28,34H,5,8,11-14H2;4-6,8-13,27,32H,3,7H2,1-2H3,(H,26,31);1-5,7-8,10-14,26,31H,6,9H2;4-6,8-13,25,29H,3,7H2,1-2H3;1-2,4-5,7-12,23,27H,3,6H2/b;29-19+;29-20+;27-18+;25-17+
• InChIKey: XFVQSVNGIZBFFG-SUEZKZIFSA-N
• XLogP: 20.72
• TPSA: 486.16 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 38
• Rotatable Bonds: 20
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2089.29
LogP ≤ 5	20.72
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	38

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'}

Frequently Asked Questions

What is the IUPAC name of (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?

The IUPAC name of (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) is (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.

What is the SMILES notation for (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?

The canonical SMILES for (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 is COc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CC/C3=N\O)cc1NC(C)=O.COc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CC/C3=N\O)cc1OC.O/N=C1\CCc2cc(Nc3c(-c4ccc5ccccc5n4)nc4cnccn34)ccc21.O/N=C1\CCc2cc(Nc3c(-c4cccnc4)nc4cnccn34)ccc21.O=C(c1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CCC3=NO)cc1)N1CCOCC1.

What is the InChIKey of (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?

The InChIKey is XFVQSVNGIZBFFG-SUEZKZIFSA-N. The full InChI is InChI=1S/C26H24N6O3.C24H22N6O3.C24H18N6O.C23H21N5O3.C20H16N6O/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;1-14(31)26-20-12-16(4-8-21(20)33-2)23-24(30-10-9-25-13-22(30)28-23)27-17-5-6-18-15(11-17)3-7-19(18)29-32;31-29-20-9-6-16-13-17(7-8-18(16)20)26-24-23(28-22-14-25-11-12-30(22)24)21-10-5-15-3-1-2-4-19(15)27-21;1-30-19-8-4-15(12-20(19)31-2)22-23(28-10-9-24-13-21(28)26-22)25-16-5-6-17-14(11-16)3-7-18(17)27-29;27-25-17-6-3-13-10-15(4-5-16(13)17)23-20-19(14-2-1-7-21-11-14)24-18-12-22-8-9-26(18)20/h1-4,6-7,9-10,15-16,28,34H,5,8,11-14H2;4-6,8-13,27,32H,3,7H2,1-2H3,(H,26,31);1-5,7-8,10-14,26,31H,6,9H2;4-6,8-13,25,29H,3,7H2,1-2H3;1-2,4-5,7-12,23,27H,3,6H2/b;29-19+;29-20+;27-18+;25-17+.

What are the key properties of (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?

(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 has a molecular weight of 2089.29 g/mol, XLogP of 20.72, 20 rotatable bonds, 11 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for (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 is sourced from PubChem (CID 172948683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).