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

C18H20N8S — CID 71044775

IUPACN-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-amine
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cnc(CN3CCCC3)s2)n1
InChIInChI=1S/C18H20N8S/c1-12-10-26-14(13-6-21-22-7-13)8-20-18(26)17(23-12)24-15-9-19-16(27-15)11-25-4-2-3-5-25/h6-10H,2-5,11H2,1H3,(H,21,22)(H,23,24)
InChIKeySPTMNYMOALZRBT-UHFFFAOYSA-N
MW380.48 g/mol
LogP3.22
Rot. Bonds5

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

N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-amine (PubChem CID 71044775) has the molecular formula C18H20N8S and a molecular weight of 380.48 g/mol. Its IUPAC name is N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-amine.

Molecular Properties

Compound NameN-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-amine
PubChem CID71044775
Molecular FormulaC18H20N8S
Molecular Weight380.48 g/mol
Exact Mass380.15
IUPAC NameN-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-amine
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cnc(CN3CCCC3)s2)n1
InChIInChI=1S/C18H20N8S/c1-12-10-26-14(13-6-21-22-7-13)8-20-18(26)17(23-12)24-15-9-19-16(27-15)11-25-4-2-3-5-25/h6-10H,2-5,11H2,1H3,(H,21,22)(H,23,24)
InChIKeySPTMNYMOALZRBT-UHFFFAOYSA-N
XLogP3.22
TPSA87.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-amine?
The IUPAC name of N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-amine (CID 71044775) is N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-amine.
What is the SMILES notation for N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-amine?
The canonical SMILES for N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-amine is Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cnc(CN3CCCC3)s2)n1.
What is the InChIKey of N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-amine?
The InChIKey is SPTMNYMOALZRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8S/c1-12-10-26-14(13-6-21-22-7-13)8-20-18(26)17(23-12)24-15-9-19-16(27-15)11-25-4-2-3-5-25/h6-10H,2-5,11H2,1H3,(H,21,22)(H,23,24).
What are the key properties of N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-amine?
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-amine has a molecular weight of 380.48 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 8 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]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-amine is sourced from PubChem (CID 71044775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).