N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine

C23H21N7O2S — CID 59473104

IUPACN-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESO=S1(=O)CCN(c2ccc(Nc3nc(-c4ccc5cn[nH]c5c4)cn4ccnc34)cc2)CC1
InChIInChI=1S/C23H21N7O2S/c31-33(32)11-9-29(10-12-33)19-5-3-18(4-6-19)26-22-23-24-7-8-30(23)15-21(27-22)16-1-2-17-14-25-28-20(17)13-16/h1-8,13-15H,9-12H2,(H,25,28)(H,26,27)
InChIKeySBFGJTSNMVBWKL-UHFFFAOYSA-N
MW459.54 g/mol
LogP3.25
Rot. Bonds4

About N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine

N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 59473104) has the molecular formula C23H21N7O2S and a molecular weight of 459.54 g/mol. Its IUPAC name is N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID59473104
Molecular FormulaC23H21N7O2S
Molecular Weight459.54 g/mol
Exact Mass459.15
IUPAC NameN-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESO=S1(=O)CCN(c2ccc(Nc3nc(-c4ccc5cn[nH]c5c4)cn4ccnc34)cc2)CC1
InChIInChI=1S/C23H21N7O2S/c31-33(32)11-9-29(10-12-33)19-5-3-18(4-6-19)26-22-23-24-7-8-30(23)15-21(27-22)16-1-2-17-14-25-28-20(17)13-16/h1-8,13-15H,9-12H2,(H,25,28)(H,26,27)
InChIKeySBFGJTSNMVBWKL-UHFFFAOYSA-N
XLogP3.25
TPSA108.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.54
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine (CID 59473104) is N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine is O=S1(=O)CCN(c2ccc(Nc3nc(-c4ccc5cn[nH]c5c4)cn4ccnc34)cc2)CC1.
What is the InChIKey of N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is SBFGJTSNMVBWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O2S/c31-33(32)11-9-29(10-12-33)19-5-3-18(4-6-19)26-22-23-24-7-8-30(23)15-21(27-22)16-1-2-17-14-25-28-20(17)13-16/h1-8,13-15H,9-12H2,(H,25,28)(H,26,27).
What are the key properties of N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine?
N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 459.54 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 59473104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).