N-[6-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine

C21H26N8OS — CID 58874047

IUPACN-[6-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine
SMILESCOCCCc1cn2c(-c3cnn(C)c3)cnc2c(Nc2cc(C3CCNC3)ns2)n1
InChIInChI=1S/C21H26N8OS/c1-28-12-15(10-24-28)18-11-23-21-20(25-16(13-29(18)21)4-3-7-30-2)26-19-8-17(27-31-19)14-5-6-22-9-14/h8,10-14,22H,3-7,9H2,1-2H3,(H,25,26)
InChIKeySACZVQMCYUXOBS-UHFFFAOYSA-N
MW438.56 g/mol
LogP2.99
Rot. Bonds8

About N-[6-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine

N-[6-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine (PubChem CID 58874047) has the molecular formula C21H26N8OS and a molecular weight of 438.56 g/mol. Its IUPAC name is N-[6-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[6-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine
PubChem CID58874047
Molecular FormulaC21H26N8OS
Molecular Weight438.56 g/mol
Exact Mass438.20
IUPAC NameN-[6-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine
SMILESCOCCCc1cn2c(-c3cnn(C)c3)cnc2c(Nc2cc(C3CCNC3)ns2)n1
InChIInChI=1S/C21H26N8OS/c1-28-12-15(10-24-28)18-11-23-21-20(25-16(13-29(18)21)4-3-7-30-2)26-19-8-17(27-31-19)14-5-6-22-9-14/h8,10-14,22H,3-7,9H2,1-2H3,(H,25,26)
InChIKeySACZVQMCYUXOBS-UHFFFAOYSA-N
XLogP2.99
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.56
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine?
The IUPAC name of N-[6-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine (CID 58874047) is N-[6-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine.
What is the SMILES notation for N-[6-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine?
The canonical SMILES for N-[6-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine is COCCCc1cn2c(-c3cnn(C)c3)cnc2c(Nc2cc(C3CCNC3)ns2)n1.
What is the InChIKey of N-[6-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine?
The InChIKey is SACZVQMCYUXOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8OS/c1-28-12-15(10-24-28)18-11-23-21-20(25-16(13-29(18)21)4-3-7-30-2)26-19-8-17(27-31-19)14-5-6-22-9-14/h8,10-14,22H,3-7,9H2,1-2H3,(H,25,26).
What are the key properties of N-[6-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine?
N-[6-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine has a molecular weight of 438.56 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine is sourced from PubChem (CID 58874047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).