N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(2-phenylsulfanyl-1-piperidin-1-ylethyl)-1,2-thiazol-5-amine

C26H28N8S2 — CID 71044905

IUPACN-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(2-phenylsulfanyl-1-piperidin-1-ylethyl)-1,2-thiazol-5-amine
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(C(CSc3ccccc3)N3CCCCC3)ns2)n1
InChIInChI=1S/C26H28N8S2/c1-18-16-34-22(19-13-28-29-14-19)15-27-26(34)25(30-18)31-24-12-21(32-36-24)23(33-10-6-3-7-11-33)17-35-20-8-4-2-5-9-20/h2,4-5,8-9,12-16,23H,3,6-7,10-11,17H2,1H3,(H,28,29)(H,30,31)
InChIKeyDCPNYACYNHOJRL-UHFFFAOYSA-N
MW516.70 g/mol
LogP5.95
Rot. Bonds8

About N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(2-phenylsulfanyl-1-piperidin-1-ylethyl)-1,2-thiazol-5-amine

N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(2-phenylsulfanyl-1-piperidin-1-ylethyl)-1,2-thiazol-5-amine (PubChem CID 71044905) has the molecular formula C26H28N8S2 and a molecular weight of 516.70 g/mol. Its IUPAC name is N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(2-phenylsulfanyl-1-piperidin-1-ylethyl)-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(2-phenylsulfanyl-1-piperidin-1-ylethyl)-1,2-thiazol-5-amine
PubChem CID71044905
Molecular FormulaC26H28N8S2
Molecular Weight516.70 g/mol
Exact Mass516.19
IUPAC NameN-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(2-phenylsulfanyl-1-piperidin-1-ylethyl)-1,2-thiazol-5-amine
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(C(CSc3ccccc3)N3CCCCC3)ns2)n1
InChIInChI=1S/C26H28N8S2/c1-18-16-34-22(19-13-28-29-14-19)15-27-26(34)25(30-18)31-24-12-21(32-36-24)23(33-10-6-3-7-11-33)17-35-20-8-4-2-5-9-20/h2,4-5,8-9,12-16,23H,3,6-7,10-11,17H2,1H3,(H,28,29)(H,30,31)
InChIKeyDCPNYACYNHOJRL-UHFFFAOYSA-N
XLogP5.95
TPSA87.03 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.70
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(2-phenylsulfanyl-1-piperidin-1-ylethyl)-1,2-thiazol-5-amine?
The IUPAC name of N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(2-phenylsulfanyl-1-piperidin-1-ylethyl)-1,2-thiazol-5-amine (CID 71044905) is N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(2-phenylsulfanyl-1-piperidin-1-ylethyl)-1,2-thiazol-5-amine.
What is the SMILES notation for N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(2-phenylsulfanyl-1-piperidin-1-ylethyl)-1,2-thiazol-5-amine?
The canonical SMILES for N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(2-phenylsulfanyl-1-piperidin-1-ylethyl)-1,2-thiazol-5-amine is Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(C(CSc3ccccc3)N3CCCCC3)ns2)n1.
What is the InChIKey of N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(2-phenylsulfanyl-1-piperidin-1-ylethyl)-1,2-thiazol-5-amine?
The InChIKey is DCPNYACYNHOJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8S2/c1-18-16-34-22(19-13-28-29-14-19)15-27-26(34)25(30-18)31-24-12-21(32-36-24)23(33-10-6-3-7-11-33)17-35-20-8-4-2-5-9-20/h2,4-5,8-9,12-16,23H,3,6-7,10-11,17H2,1H3,(H,28,29)(H,30,31).
What are the key properties of N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(2-phenylsulfanyl-1-piperidin-1-ylethyl)-1,2-thiazol-5-amine?
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(2-phenylsulfanyl-1-piperidin-1-ylethyl)-1,2-thiazol-5-amine has a molecular weight of 516.70 g/mol, XLogP of 5.95, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(2-phenylsulfanyl-1-piperidin-1-ylethyl)-1,2-thiazol-5-amine is sourced from PubChem (CID 71044905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).