N-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine

C17H17N7S2 — CID 25094330

IUPACN-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCSc1cn2c(-c3cc(C4CC4)[nH]n3)cnc2c(Nc2cc(C)ns2)n1
InChIInChI=1S/C17H17N7S2/c1-9-5-14(26-23-9)19-16-17-18-7-13(24(17)8-15(20-16)25-2)12-6-11(21-22-12)10-3-4-10/h5-8,10H,3-4H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyPLSMNLKRODDFGD-UHFFFAOYSA-N
MW383.51 g/mol
LogP4.23
Rot. Bonds5

About N-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine

N-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine (PubChem CID 25094330) has the molecular formula C17H17N7S2 and a molecular weight of 383.51 g/mol. Its IUPAC name is N-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
PubChem CID25094330
Molecular FormulaC17H17N7S2
Molecular Weight383.51 g/mol
Exact Mass383.10
IUPAC NameN-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCSc1cn2c(-c3cc(C4CC4)[nH]n3)cnc2c(Nc2cc(C)ns2)n1
InChIInChI=1S/C17H17N7S2/c1-9-5-14(26-23-9)19-16-17-18-7-13(24(17)8-15(20-16)25-2)12-6-11(21-22-12)10-3-4-10/h5-8,10H,3-4H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyPLSMNLKRODDFGD-UHFFFAOYSA-N
XLogP4.23
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
The IUPAC name of N-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine (CID 25094330) is N-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine.
What is the SMILES notation for N-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
The canonical SMILES for N-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine is CSc1cn2c(-c3cc(C4CC4)[nH]n3)cnc2c(Nc2cc(C)ns2)n1.
What is the InChIKey of N-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
The InChIKey is PLSMNLKRODDFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7S2/c1-9-5-14(26-23-9)19-16-17-18-7-13(24(17)8-15(20-16)25-2)12-6-11(21-22-12)10-3-4-10/h5-8,10H,3-4H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of N-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
N-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine has a molecular weight of 383.51 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine is sourced from PubChem (CID 25094330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).