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

C27H28FN7 — CID 147836295

IUPACN-[4-[4-(3-fluoropropyl)piperazin-1-yl]phenyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESFCCCN1CCN(c2ccc(Nc3nc(-c4ccc5c(c4)CN=C5)cn4ccnc34)cc2)CC1
InChIInChI=1S/C27H28FN7/c28-8-1-10-33-12-14-34(15-13-33)24-6-4-23(5-7-24)31-26-27-30-9-11-35(27)19-25(32-26)20-2-3-21-17-29-18-22(21)16-20/h2-7,9,11,16-17,19H,1,8,10,12-15,18H2,(H,31,32)
InChIKeyHSBSGDSIRWQURA-UHFFFAOYSA-N
MW469.57 g/mol
LogP4.55
Rot. Bonds7

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

N-[4-[4-(3-fluoropropyl)piperazin-1-yl]phenyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 147836295) has the molecular formula C27H28FN7 and a molecular weight of 469.57 g/mol. Its IUPAC name is N-[4-[4-(3-fluoropropyl)piperazin-1-yl]phenyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[4-[4-(3-fluoropropyl)piperazin-1-yl]phenyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID147836295
Molecular FormulaC27H28FN7
Molecular Weight469.57 g/mol
Exact Mass469.24
IUPAC NameN-[4-[4-(3-fluoropropyl)piperazin-1-yl]phenyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESFCCCN1CCN(c2ccc(Nc3nc(-c4ccc5c(c4)CN=C5)cn4ccnc34)cc2)CC1
InChIInChI=1S/C27H28FN7/c28-8-1-10-33-12-14-34(15-13-33)24-6-4-23(5-7-24)31-26-27-30-9-11-35(27)19-25(32-26)20-2-3-21-17-29-18-22(21)16-20/h2-7,9,11,16-17,19H,1,8,10,12-15,18H2,(H,31,32)
InChIKeyHSBSGDSIRWQURA-UHFFFAOYSA-N
XLogP4.55
TPSA61.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.57
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-fluoropropyl)piperazin-1-yl]phenyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of N-[4-[4-(3-fluoropropyl)piperazin-1-yl]phenyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine (CID 147836295) is N-[4-[4-(3-fluoropropyl)piperazin-1-yl]phenyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for N-[4-[4-(3-fluoropropyl)piperazin-1-yl]phenyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for N-[4-[4-(3-fluoropropyl)piperazin-1-yl]phenyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine is FCCCN1CCN(c2ccc(Nc3nc(-c4ccc5c(c4)CN=C5)cn4ccnc34)cc2)CC1.
What is the InChIKey of N-[4-[4-(3-fluoropropyl)piperazin-1-yl]phenyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is HSBSGDSIRWQURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN7/c28-8-1-10-33-12-14-34(15-13-33)24-6-4-23(5-7-24)31-26-27-30-9-11-35(27)19-25(32-26)20-2-3-21-17-29-18-22(21)16-20/h2-7,9,11,16-17,19H,1,8,10,12-15,18H2,(H,31,32).
What are the key properties of N-[4-[4-(3-fluoropropyl)piperazin-1-yl]phenyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine?
N-[4-[4-(3-fluoropropyl)piperazin-1-yl]phenyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 469.57 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-fluoropropyl)piperazin-1-yl]phenyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 147836295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).