N-hydroxy-3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanamide;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]-N-(oxan-2-yloxy)propanamide;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanoic acid;methane — IUPAC name, SMILES, InChIKey & properties

Name: N-hydroxy-3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanamide;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]-N-(oxan-2-yloxy)propanamide;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanoic acid;methane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About N-hydroxy-3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanamide;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]-N-(oxan-2-yloxy)propanamide;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanoic acid;methane

N-hydroxy-3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanamide;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]-N-(oxan-2-yloxy)propanamide;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanoic acid;methane (PubChem CID 163631360) has the molecular formula C84H92N20O10 and a molecular weight of 1541.79 g/mol. Its IUPAC name is N-hydroxy-3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanamide;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]-N-(oxan-2-yloxy)propanamide;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanoic acid;methane.

Molecular Properties

Compound Name	N-hydroxy-3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanamide;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]-N-(oxan-2-yloxy)propanamide;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanoic acid;methane
PubChem CID	163631360
Molecular Formula	C84H92N20O10
Molecular Weight	1541.79 g/mol
Exact Mass	1540.73
IUPAC Name	N-hydroxy-3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanamide;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]-N-(oxan-2-yloxy)propanamide;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanoic acid;methane
SMILES	C.CN(CCOCCC(=O)NO)c1ccc(Nc2nc(-c3ccc4c(c3)CN=C4)cn3ccnc23)cc1.CN(CCOCCC(=O)NOC1CCCCO1)c1ccc(Nc2nc(-c3ccc4c(c3)CN=C4)cn3ccnc23)cc1.CN(CCOCCC(=O)O)c1ccc(Nc2nc(-c3ccc4c(c3)CN=C4)cn3ccnc23)cc1
InChI	InChI=1S/C31H35N7O4.C26H27N7O3.C26H26N6O3.CH4/c1-37(14-17-40-16-11-28(39)36-42-29-4-2-3-15-41-29)26-9-7-25(8-10-26)34-30-31-33-12-13-38(31)21-27(35-30)22-5-6-23-19-32-20-24(23)18-22;1-32(11-13-36-12-8-24(34)31-35)22-6-4-21(5-7-22)29-25-26-28-9-10-33(26)17-23(30-25)18-2-3-19-15-27-16-20(19)14-18;1-31(11-13-35-12-8-24(33)34)22-6-4-21(5-7-22)29-25-26-28-9-10-32(26)17-23(30-25)18-2-3-19-15-27-16-20(19)14-18;/h5-10,12-13,18-19,21,29H,2-4,11,14-17,20H2,1H3,(H,34,35)(H,36,39);2-7,9-10,14-15,17,35H,8,11-13,16H2,1H3,(H,29,30)(H,31,34);2-7,9-10,14-15,17H,8,11-13,16H2,1H3,(H,29,30)(H,33,34);1H4
InChIKey	HWIWEIHDQJXOIK-UHFFFAOYSA-N
XLogP	12.55
TPSA	335.34 Å²
H-Bond Donors	7
H-Bond Acceptors	27
Rotatable Bonds	32
Heavy Atoms	114
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1541.79
LogP ≤ 5	12.55
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanamide;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]-N-(oxan-2-yloxy)propanamide;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanoic acid;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanamide;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]-N-(oxan-2-yloxy)propanamide;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanoic acid;methane?

The IUPAC name of N-hydroxy-3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanamide;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]-N-(oxan-2-yloxy)propanamide;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanoic acid;methane (CID 163631360) is N-hydroxy-3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanamide;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]-N-(oxan-2-yloxy)propanamide;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanoic acid;methane.

What is the SMILES notation for N-hydroxy-3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanamide;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]-N-(oxan-2-yloxy)propanamide;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanoic acid;methane?

The canonical SMILES for N-hydroxy-3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanamide;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]-N-(oxan-2-yloxy)propanamide;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanoic acid;methane is C.CN(CCOCCC(=O)NO)c1ccc(Nc2nc(-c3ccc4c(c3)CN=C4)cn3ccnc23)cc1.CN(CCOCCC(=O)NOC1CCCCO1)c1ccc(Nc2nc(-c3ccc4c(c3)CN=C4)cn3ccnc23)cc1.CN(CCOCCC(=O)O)c1ccc(Nc2nc(-c3ccc4c(c3)CN=C4)cn3ccnc23)cc1.

What is the InChIKey of N-hydroxy-3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanamide;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]-N-(oxan-2-yloxy)propanamide;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanoic acid;methane?

The InChIKey is HWIWEIHDQJXOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N7O4.C26H27N7O3.C26H26N6O3.CH4/c1-37(14-17-40-16-11-28(39)36-42-29-4-2-3-15-41-29)26-9-7-25(8-10-26)34-30-31-33-12-13-38(31)21-27(35-30)22-5-6-23-19-32-20-24(23)18-22;1-32(11-13-36-12-8-24(34)31-35)22-6-4-21(5-7-22)29-25-26-28-9-10-33(26)17-23(30-25)18-2-3-19-15-27-16-20(19)14-18;1-31(11-13-35-12-8-24(33)34)22-6-4-21(5-7-22)29-25-26-28-9-10-32(26)17-23(30-25)18-2-3-19-15-27-16-20(19)14-18;/h5-10,12-13,18-19,21,29H,2-4,11,14-17,20H2,1H3,(H,34,35)(H,36,39);2-7,9-10,14-15,17,35H,8,11-13,16H2,1H3,(H,29,30)(H,31,34);2-7,9-10,14-15,17H,8,11-13,16H2,1H3,(H,29,30)(H,33,34);1H4.

What are the key properties of N-hydroxy-3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanamide;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]-N-(oxan-2-yloxy)propanamide;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanoic acid;methane?

Where does this data come from?

All data for N-hydroxy-3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanamide;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]-N-(oxan-2-yloxy)propanamide;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanoic acid;methane is sourced from PubChem (CID 163631360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).