N-hydroxy-7-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]heptanamide

C27H30N8O2 — CID 142373520

IUPACN-hydroxy-7-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]heptanamide
SMILESCN(CCCCCCC(=O)NO)c1ccc(Nc2nc(-c3ccc4cn[nH]c4c3)cn3ccnc23)cc1
InChIInChI=1S/C27H30N8O2/c1-34(14-5-3-2-4-6-25(36)33-37)22-11-9-21(10-12-22)30-26-27-28-13-15-35(27)18-24(31-26)19-7-8-20-17-29-32-23(20)16-19/h7-13,15-18,37H,2-6,14H2,1H3,(H,29,32)(H,30,31)(H,33,36)
InChIKeyHUSPOANRUXUJCF-UHFFFAOYSA-N
MW498.59 g/mol
LogP4.91
Rot. Bonds11

About N-hydroxy-7-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]heptanamide

N-hydroxy-7-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]heptanamide (PubChem CID 142373520) has the molecular formula C27H30N8O2 and a molecular weight of 498.59 g/mol. Its IUPAC name is N-hydroxy-7-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]heptanamide.

Molecular Properties

Compound NameN-hydroxy-7-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]heptanamide
PubChem CID142373520
Molecular FormulaC27H30N8O2
Molecular Weight498.59 g/mol
Exact Mass498.25
IUPAC NameN-hydroxy-7-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]heptanamide
SMILESCN(CCCCCCC(=O)NO)c1ccc(Nc2nc(-c3ccc4cn[nH]c4c3)cn3ccnc23)cc1
InChIInChI=1S/C27H30N8O2/c1-34(14-5-3-2-4-6-25(36)33-37)22-11-9-21(10-12-22)30-26-27-28-13-15-35(27)18-24(31-26)19-7-8-20-17-29-32-23(20)16-19/h7-13,15-18,37H,2-6,14H2,1H3,(H,29,32)(H,30,31)(H,33,36)
InChIKeyHUSPOANRUXUJCF-UHFFFAOYSA-N
XLogP4.91
TPSA123.47 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.59
LogP ≤ 54.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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-7-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]heptanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-2-methylpropan-2-ol
CID 59473592
1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-4-ol
CID 59473526
N-(6-ethoxy-3-pyridinyl)-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine
CID 154335633
6-(1H-indazol-6-yl)-N-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
CID 141271380
2-ethyl-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]azetidin-3-ol
CID 151695730
[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]methanol
CID 59473100
3-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenoxy]propan-1-ol
CID 59473157
(3R)-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-3-methylpyrrolidin-3-ol
CID 59473243
6-(1H-indazol-6-yl)-N-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 59473155
2-[1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-4-yl]ethanol
CID 59473092
(3S)-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-3-ol
CID 59473119
[(2R)-4-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol
CID 59473129

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]heptanamide?
The IUPAC name of N-hydroxy-7-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]heptanamide (CID 142373520) is N-hydroxy-7-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]heptanamide.
What is the SMILES notation for N-hydroxy-7-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]heptanamide?
The canonical SMILES for N-hydroxy-7-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]heptanamide is CN(CCCCCCC(=O)NO)c1ccc(Nc2nc(-c3ccc4cn[nH]c4c3)cn3ccnc23)cc1.
What is the InChIKey of N-hydroxy-7-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]heptanamide?
The InChIKey is HUSPOANRUXUJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N8O2/c1-34(14-5-3-2-4-6-25(36)33-37)22-11-9-21(10-12-22)30-26-27-28-13-15-35(27)18-24(31-26)19-7-8-20-17-29-32-23(20)16-19/h7-13,15-18,37H,2-6,14H2,1H3,(H,29,32)(H,30,31)(H,33,36).
What are the key properties of N-hydroxy-7-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]heptanamide?
N-hydroxy-7-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]heptanamide has a molecular weight of 498.59 g/mol, XLogP of 4.91, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]heptanamide is sourced from PubChem (CID 142373520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).