N-methyl-N-[3-(1-methylpyrazol-4-yl)-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine

C18H22N8S — CID 143465236

IUPACN-methyl-N-[3-(1-methylpyrazol-4-yl)-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine
SMILESCN(C1=NC=CN2C1=NCC2c1cnn(C)c1)c1cc(C2CCNC2)ns1
InChIInChI=1S/C18H22N8S/c1-24-11-13(9-22-24)15-10-21-18-17(20-5-6-26(15)18)25(2)16-7-14(23-27-16)12-3-4-19-8-12/h5-7,9,11-12,15,19H,3-4,8,10H2,1-2H3
InChIKeyLTNVKNMDMLZBPC-UHFFFAOYSA-N
MW382.50 g/mol
LogP1.73
Rot. Bonds3

About N-methyl-N-[3-(1-methylpyrazol-4-yl)-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine

N-methyl-N-[3-(1-methylpyrazol-4-yl)-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine (PubChem CID 143465236) has the molecular formula C18H22N8S and a molecular weight of 382.50 g/mol. Its IUPAC name is N-methyl-N-[3-(1-methylpyrazol-4-yl)-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-methyl-N-[3-(1-methylpyrazol-4-yl)-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine
PubChem CID143465236
Molecular FormulaC18H22N8S
Molecular Weight382.50 g/mol
Exact Mass382.17
IUPAC NameN-methyl-N-[3-(1-methylpyrazol-4-yl)-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine
SMILESCN(C1=NC=CN2C1=NCC2c1cnn(C)c1)c1cc(C2CCNC2)ns1
InChIInChI=1S/C18H22N8S/c1-24-11-13(9-22-24)15-10-21-18-17(20-5-6-26(15)18)25(2)16-7-14(23-27-16)12-3-4-19-8-12/h5-7,9,11-12,15,19H,3-4,8,10H2,1-2H3
InChIKeyLTNVKNMDMLZBPC-UHFFFAOYSA-N
XLogP1.73
TPSA73.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-methyl-N-[3-(1-methylpyrazol-4-yl)-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(1-methylpyrazol-4-yl)-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine?
The IUPAC name of N-methyl-N-[3-(1-methylpyrazol-4-yl)-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine (CID 143465236) is N-methyl-N-[3-(1-methylpyrazol-4-yl)-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine.
What is the SMILES notation for N-methyl-N-[3-(1-methylpyrazol-4-yl)-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine?
The canonical SMILES for N-methyl-N-[3-(1-methylpyrazol-4-yl)-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine is CN(C1=NC=CN2C1=NCC2c1cnn(C)c1)c1cc(C2CCNC2)ns1.
What is the InChIKey of N-methyl-N-[3-(1-methylpyrazol-4-yl)-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine?
The InChIKey is LTNVKNMDMLZBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8S/c1-24-11-13(9-22-24)15-10-21-18-17(20-5-6-26(15)18)25(2)16-7-14(23-27-16)12-3-4-19-8-12/h5-7,9,11-12,15,19H,3-4,8,10H2,1-2H3.
What are the key properties of N-methyl-N-[3-(1-methylpyrazol-4-yl)-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine?
N-methyl-N-[3-(1-methylpyrazol-4-yl)-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine has a molecular weight of 382.50 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(1-methylpyrazol-4-yl)-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine is sourced from PubChem (CID 143465236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).