N-(6-methyl-3-pyridin-2-ylimidazo[1,2-a]pyrazin-8-yl)-3-(pyrrolidin-1-ylmethyl)-1,2-thiazol-5-amine

C20H21N7S — CID 59503625

IUPACN-(6-methyl-3-pyridin-2-ylimidazo[1,2-a]pyrazin-8-yl)-3-(pyrrolidin-1-ylmethyl)-1,2-thiazol-5-amine
SMILESCc1cn2c(-c3ccccn3)cnc2c(Nc2cc(CN3CCCC3)ns2)n1
InChIInChI=1S/C20H21N7S/c1-14-12-27-17(16-6-2-3-7-21-16)11-22-20(27)19(23-14)24-18-10-15(25-28-18)13-26-8-4-5-9-26/h2-3,6-7,10-12H,4-5,8-9,13H2,1H3,(H,23,24)
InChIKeyXYFHOQSWLDFQRF-UHFFFAOYSA-N
MW391.50 g/mol
LogP3.90
Rot. Bonds5

About N-(6-methyl-3-pyridin-2-ylimidazo[1,2-a]pyrazin-8-yl)-3-(pyrrolidin-1-ylmethyl)-1,2-thiazol-5-amine

N-(6-methyl-3-pyridin-2-ylimidazo[1,2-a]pyrazin-8-yl)-3-(pyrrolidin-1-ylmethyl)-1,2-thiazol-5-amine (PubChem CID 59503625) has the molecular formula C20H21N7S and a molecular weight of 391.50 g/mol. Its IUPAC name is N-(6-methyl-3-pyridin-2-ylimidazo[1,2-a]pyrazin-8-yl)-3-(pyrrolidin-1-ylmethyl)-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-(6-methyl-3-pyridin-2-ylimidazo[1,2-a]pyrazin-8-yl)-3-(pyrrolidin-1-ylmethyl)-1,2-thiazol-5-amine
PubChem CID59503625
Molecular FormulaC20H21N7S
Molecular Weight391.50 g/mol
Exact Mass391.16
IUPAC NameN-(6-methyl-3-pyridin-2-ylimidazo[1,2-a]pyrazin-8-yl)-3-(pyrrolidin-1-ylmethyl)-1,2-thiazol-5-amine
SMILESCc1cn2c(-c3ccccn3)cnc2c(Nc2cc(CN3CCCC3)ns2)n1
InChIInChI=1S/C20H21N7S/c1-14-12-27-17(16-6-2-3-7-21-16)11-22-20(27)19(23-14)24-18-10-15(25-28-18)13-26-8-4-5-9-26/h2-3,6-7,10-12H,4-5,8-9,13H2,1H3,(H,23,24)
InChIKeyXYFHOQSWLDFQRF-UHFFFAOYSA-N
XLogP3.90
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-3-pyridin-2-ylimidazo[1,2-a]pyrazin-8-yl)-3-(pyrrolidin-1-ylmethyl)-1,2-thiazol-5-amine?
The IUPAC name of N-(6-methyl-3-pyridin-2-ylimidazo[1,2-a]pyrazin-8-yl)-3-(pyrrolidin-1-ylmethyl)-1,2-thiazol-5-amine (CID 59503625) is N-(6-methyl-3-pyridin-2-ylimidazo[1,2-a]pyrazin-8-yl)-3-(pyrrolidin-1-ylmethyl)-1,2-thiazol-5-amine.
What is the SMILES notation for N-(6-methyl-3-pyridin-2-ylimidazo[1,2-a]pyrazin-8-yl)-3-(pyrrolidin-1-ylmethyl)-1,2-thiazol-5-amine?
The canonical SMILES for N-(6-methyl-3-pyridin-2-ylimidazo[1,2-a]pyrazin-8-yl)-3-(pyrrolidin-1-ylmethyl)-1,2-thiazol-5-amine is Cc1cn2c(-c3ccccn3)cnc2c(Nc2cc(CN3CCCC3)ns2)n1.
What is the InChIKey of N-(6-methyl-3-pyridin-2-ylimidazo[1,2-a]pyrazin-8-yl)-3-(pyrrolidin-1-ylmethyl)-1,2-thiazol-5-amine?
The InChIKey is XYFHOQSWLDFQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7S/c1-14-12-27-17(16-6-2-3-7-21-16)11-22-20(27)19(23-14)24-18-10-15(25-28-18)13-26-8-4-5-9-26/h2-3,6-7,10-12H,4-5,8-9,13H2,1H3,(H,23,24).
What are the key properties of N-(6-methyl-3-pyridin-2-ylimidazo[1,2-a]pyrazin-8-yl)-3-(pyrrolidin-1-ylmethyl)-1,2-thiazol-5-amine?
N-(6-methyl-3-pyridin-2-ylimidazo[1,2-a]pyrazin-8-yl)-3-(pyrrolidin-1-ylmethyl)-1,2-thiazol-5-amine has a molecular weight of 391.50 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-3-pyridin-2-ylimidazo[1,2-a]pyrazin-8-yl)-3-(pyrrolidin-1-ylmethyl)-1,2-thiazol-5-amine is sourced from PubChem (CID 59503625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).