N-hydroxy-5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanamide

C29H30N8O3 — CID 159621291

IUPACN-hydroxy-5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanamide
SMILESO=C(CCCC(=O)N1CCN(c2ccc(Nc3nc(-c4ccc5c(c4)CN=C5)cn4ccnc34)cc2)CC1)NO
InChIInChI=1S/C29H30N8O3/c38-26(34-40)2-1-3-27(39)36-14-12-35(13-15-36)24-8-6-23(7-9-24)32-28-29-31-10-11-37(29)19-25(33-28)20-4-5-21-17-30-18-22(21)16-20/h4-11,16-17,19,40H,1-3,12-15,18H2,(H,32,33)(H,34,38)
InChIKeySLDDZINGHVBHMX-UHFFFAOYSA-N
MW538.61 g/mol
LogP3.40
Rot. Bonds8

About N-hydroxy-5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanamide

N-hydroxy-5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanamide (PubChem CID 159621291) has the molecular formula C29H30N8O3 and a molecular weight of 538.61 g/mol. Its IUPAC name is N-hydroxy-5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanamide.

Molecular Properties

Compound NameN-hydroxy-5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanamide
PubChem CID159621291
Molecular FormulaC29H30N8O3
Molecular Weight538.61 g/mol
Exact Mass538.24
IUPAC NameN-hydroxy-5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanamide
SMILESO=C(CCCC(=O)N1CCN(c2ccc(Nc3nc(-c4ccc5c(c4)CN=C5)cn4ccnc34)cc2)CC1)NO
InChIInChI=1S/C29H30N8O3/c38-26(34-40)2-1-3-27(39)36-14-12-35(13-15-36)24-8-6-23(7-9-24)32-28-29-31-10-11-37(29)19-25(33-28)20-4-5-21-17-30-18-22(21)16-20/h4-11,16-17,19,40H,1-3,12-15,18H2,(H,32,33)(H,34,38)
InChIKeySLDDZINGHVBHMX-UHFFFAOYSA-N
XLogP3.40
TPSA127.46 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.61
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', '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 N-hydroxy-5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanamide?
The IUPAC name of N-hydroxy-5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanamide (CID 159621291) is N-hydroxy-5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanamide.
What is the SMILES notation for N-hydroxy-5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanamide?
The canonical SMILES for N-hydroxy-5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanamide is O=C(CCCC(=O)N1CCN(c2ccc(Nc3nc(-c4ccc5c(c4)CN=C5)cn4ccnc34)cc2)CC1)NO.
What is the InChIKey of N-hydroxy-5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanamide?
The InChIKey is SLDDZINGHVBHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N8O3/c38-26(34-40)2-1-3-27(39)36-14-12-35(13-15-36)24-8-6-23(7-9-24)32-28-29-31-10-11-37(29)19-25(33-28)20-4-5-21-17-30-18-22(21)16-20/h4-11,16-17,19,40H,1-3,12-15,18H2,(H,32,33)(H,34,38).
What are the key properties of N-hydroxy-5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanamide?
N-hydroxy-5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanamide has a molecular weight of 538.61 g/mol, XLogP of 3.40, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanamide is sourced from PubChem (CID 159621291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).