N-[3-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-propan-2-ylsulfonylpyrrolidin-3-yl)-1,2-thiazol-5-amine

C20H26N8O2S2 — CID 71195329

IUPACN-[3-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-propan-2-ylsulfonylpyrrolidin-3-yl)-1,2-thiazol-5-amine
SMILESCC(C)S(=O)(=O)N1CCC(c2cc(Nc3nccn4c(C5C=NN(C)C5)cnc34)sn2)C1
InChIInChI=1S/C20H26N8O2S2/c1-13(2)32(29,30)27-6-4-14(12-27)16-8-18(31-25-16)24-19-20-22-10-17(28(20)7-5-21-19)15-9-23-26(3)11-15/h5,7-10,13-15H,4,6,11-12H2,1-3H3,(H,21,24)
InChIKeyNGTRJFYAEILEDF-UHFFFAOYSA-N
MW474.62 g/mol
LogP2.47
Rot. Bonds6

About N-[3-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-propan-2-ylsulfonylpyrrolidin-3-yl)-1,2-thiazol-5-amine

N-[3-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-propan-2-ylsulfonylpyrrolidin-3-yl)-1,2-thiazol-5-amine (PubChem CID 71195329) has the molecular formula C20H26N8O2S2 and a molecular weight of 474.62 g/mol. Its IUPAC name is N-[3-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-propan-2-ylsulfonylpyrrolidin-3-yl)-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[3-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-propan-2-ylsulfonylpyrrolidin-3-yl)-1,2-thiazol-5-amine
PubChem CID71195329
Molecular FormulaC20H26N8O2S2
Molecular Weight474.62 g/mol
Exact Mass474.16
IUPAC NameN-[3-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-propan-2-ylsulfonylpyrrolidin-3-yl)-1,2-thiazol-5-amine
SMILESCC(C)S(=O)(=O)N1CCC(c2cc(Nc3nccn4c(C5C=NN(C)C5)cnc34)sn2)C1
InChIInChI=1S/C20H26N8O2S2/c1-13(2)32(29,30)27-6-4-14(12-27)16-8-18(31-25-16)24-19-20-22-10-17(28(20)7-5-21-19)15-9-23-26(3)11-15/h5,7-10,13-15H,4,6,11-12H2,1-3H3,(H,21,24)
InChIKeyNGTRJFYAEILEDF-UHFFFAOYSA-N
XLogP2.47
TPSA108.09 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.62
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-propan-2-ylsulfonylpyrrolidin-3-yl)-1,2-thiazol-5-amine?
The IUPAC name of N-[3-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-propan-2-ylsulfonylpyrrolidin-3-yl)-1,2-thiazol-5-amine (CID 71195329) is N-[3-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-propan-2-ylsulfonylpyrrolidin-3-yl)-1,2-thiazol-5-amine.
What is the SMILES notation for N-[3-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-propan-2-ylsulfonylpyrrolidin-3-yl)-1,2-thiazol-5-amine?
The canonical SMILES for N-[3-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-propan-2-ylsulfonylpyrrolidin-3-yl)-1,2-thiazol-5-amine is CC(C)S(=O)(=O)N1CCC(c2cc(Nc3nccn4c(C5C=NN(C)C5)cnc34)sn2)C1.
What is the InChIKey of N-[3-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-propan-2-ylsulfonylpyrrolidin-3-yl)-1,2-thiazol-5-amine?
The InChIKey is NGTRJFYAEILEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O2S2/c1-13(2)32(29,30)27-6-4-14(12-27)16-8-18(31-25-16)24-19-20-22-10-17(28(20)7-5-21-19)15-9-23-26(3)11-15/h5,7-10,13-15H,4,6,11-12H2,1-3H3,(H,21,24).
What are the key properties of N-[3-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-propan-2-ylsulfonylpyrrolidin-3-yl)-1,2-thiazol-5-amine?
N-[3-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-propan-2-ylsulfonylpyrrolidin-3-yl)-1,2-thiazol-5-amine has a molecular weight of 474.62 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-propan-2-ylsulfonylpyrrolidin-3-yl)-1,2-thiazol-5-amine is sourced from PubChem (CID 71195329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).