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

C18H21N7OS — CID 58873979

IUPACN-[6-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCOCCCc1cn2c(-c3cnn(C)c3)cnc2c(Nc2cc(C)ns2)n1
InChIInChI=1S/C18H21N7OS/c1-12-7-16(27-23-12)22-17-18-19-9-15(13-8-20-24(2)10-13)25(18)11-14(21-17)5-4-6-26-3/h7-11H,4-6H2,1-3H3,(H,21,22)
InChIKeyGJZPRRQDAIZGSV-UHFFFAOYSA-N
MW383.48 g/mol
LogP3.22
Rot. Bonds7

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

N-[6-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine (PubChem CID 58873979) has the molecular formula C18H21N7OS and a molecular weight of 383.48 g/mol. Its IUPAC name is N-[6-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-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-methyl-1,2-thiazol-5-amine
PubChem CID58873979
Molecular FormulaC18H21N7OS
Molecular Weight383.48 g/mol
Exact Mass383.15
IUPAC NameN-[6-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCOCCCc1cn2c(-c3cnn(C)c3)cnc2c(Nc2cc(C)ns2)n1
InChIInChI=1S/C18H21N7OS/c1-12-7-16(27-23-12)22-17-18-19-9-15(13-8-20-24(2)10-13)25(18)11-14(21-17)5-4-6-26-3/h7-11H,4-6H2,1-3H3,(H,21,22)
InChIKeyGJZPRRQDAIZGSV-UHFFFAOYSA-N
XLogP3.22
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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-methyl-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-methyl-1,2-thiazol-5-amine (CID 58873979) is N-[6-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-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-methyl-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-methyl-1,2-thiazol-5-amine is COCCCc1cn2c(-c3cnn(C)c3)cnc2c(Nc2cc(C)ns2)n1.
What is the InChIKey of N-[6-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
The InChIKey is GJZPRRQDAIZGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7OS/c1-12-7-16(27-23-12)22-17-18-19-9-15(13-8-20-24(2)10-13)25(18)11-14(21-17)5-4-6-26-3/h7-11H,4-6H2,1-3H3,(H,21,22).
What are the key properties of N-[6-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
N-[6-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine has a molecular weight of 383.48 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 9 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-methyl-1,2-thiazol-5-amine is sourced from PubChem (CID 58873979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).