N-hydroxy-3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanamide;N-hydroxy-2-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethyl-methylamino]pyrimidine-5-carboxamide

C55H55N17O5 — CID 159673861

IUPACN-hydroxy-3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanamide;N-hydroxy-2-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethyl-methylamino]pyrimidine-5-carboxamide
SMILESCN(CCN(C)c1ncc(C(=O)NO)cn1)c1ccc(Nc2nc(-c3ccc4c(c3)CN=C4)cn3ccnc23)cc1.CN(CCOCCC(=O)NO)c1ccc(Nc2nc(-c3ccc4c(c3)CN=C4)cn3ccnc23)cc1
InChIInChI=1S/C29H28N10O2.C26H27N7O3/c1-37(11-12-38(2)29-32-16-22(17-33-29)28(40)36-41)24-7-5-23(6-8-24)34-26-27-31-9-10-39(27)18-25(35-26)19-3-4-20-14-30-15-21(20)13-19;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/h3-10,13-14,16-18,41H,11-12,15H2,1-2H3,(H,34,35)(H,36,40);2-7,9-10,14-15,17,35H,8,11-13,16H2,1H3,(H,29,30)(H,31,34)
InChIKeyMUIRCJKUXAWEBC-UHFFFAOYSA-N
MW1034.16 g/mol
LogP6.97
Rot. Bonds19

About N-hydroxy-3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanamide;N-hydroxy-2-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethyl-methylamino]pyrimidine-5-carboxamide

N-hydroxy-3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanamide;N-hydroxy-2-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethyl-methylamino]pyrimidine-5-carboxamide (PubChem CID 159673861) has the molecular formula C55H55N17O5 and a molecular weight of 1034.16 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;N-hydroxy-2-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethyl-methylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanamide;N-hydroxy-2-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethyl-methylamino]pyrimidine-5-carboxamide
PubChem CID159673861
Molecular FormulaC55H55N17O5
Molecular Weight1034.16 g/mol
Exact Mass1033.46
IUPAC NameN-hydroxy-3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanamide;N-hydroxy-2-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethyl-methylamino]pyrimidine-5-carboxamide
SMILESCN(CCN(C)c1ncc(C(=O)NO)cn1)c1ccc(Nc2nc(-c3ccc4c(c3)CN=C4)cn3ccnc23)cc1.CN(CCOCCC(=O)NO)c1ccc(Nc2nc(-c3ccc4c(c3)CN=C4)cn3ccnc23)cc1
InChIInChI=1S/C29H28N10O2.C26H27N7O3/c1-37(11-12-38(2)29-32-16-22(17-33-29)28(40)36-41)24-7-5-23(6-8-24)34-26-27-31-9-10-39(27)18-25(35-26)19-3-4-20-14-30-15-21(20)13-19;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/h3-10,13-14,16-18,41H,11-12,15H2,1-2H3,(H,34,35)(H,36,40);2-7,9-10,14-15,17,35H,8,11-13,16H2,1H3,(H,29,30)(H,31,34)
InChIKeyMUIRCJKUXAWEBC-UHFFFAOYSA-N
XLogP6.97
TPSA252.55 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds19
Heavy Atoms77
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001034.16
LogP ≤ 56.97
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

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;N-hydroxy-2-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethyl-methylamino]pyrimidine-5-carboxamide with MolForge

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Related Compounds

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CID 69850793

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;N-hydroxy-2-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethyl-methylamino]pyrimidine-5-carboxamide?
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;N-hydroxy-2-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethyl-methylamino]pyrimidine-5-carboxamide (CID 159673861) is N-hydroxy-3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanamide;N-hydroxy-2-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethyl-methylamino]pyrimidine-5-carboxamide.
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;N-hydroxy-2-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethyl-methylamino]pyrimidine-5-carboxamide?
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;N-hydroxy-2-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethyl-methylamino]pyrimidine-5-carboxamide is CN(CCN(C)c1ncc(C(=O)NO)cn1)c1ccc(Nc2nc(-c3ccc4c(c3)CN=C4)cn3ccnc23)cc1.CN(CCOCCC(=O)NO)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;N-hydroxy-2-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethyl-methylamino]pyrimidine-5-carboxamide?
The InChIKey is MUIRCJKUXAWEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N10O2.C26H27N7O3/c1-37(11-12-38(2)29-32-16-22(17-33-29)28(40)36-41)24-7-5-23(6-8-24)34-26-27-31-9-10-39(27)18-25(35-26)19-3-4-20-14-30-15-21(20)13-19;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/h3-10,13-14,16-18,41H,11-12,15H2,1-2H3,(H,34,35)(H,36,40);2-7,9-10,14-15,17,35H,8,11-13,16H2,1H3,(H,29,30)(H,31,34).
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;N-hydroxy-2-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethyl-methylamino]pyrimidine-5-carboxamide?
N-hydroxy-3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanamide;N-hydroxy-2-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethyl-methylamino]pyrimidine-5-carboxamide has a molecular weight of 1034.16 g/mol, XLogP of 6.97, 19 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
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;N-hydroxy-2-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethyl-methylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 159673861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).