5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxamide

C18H20N8OS — CID 58873925

IUPAC5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxamide
SMILESCc1cc(Nc2nc(CCN)cn3c(-c4cnn(C)c4)cnc23)sc1C(N)=O
InChIInChI=1S/C18H20N8OS/c1-10-5-14(28-15(10)16(20)27)24-17-18-21-7-13(11-6-22-25(2)8-11)26(18)9-12(23-17)3-4-19/h5-9H,3-4,19H2,1-2H3,(H2,20,27)(H,23,24)
InChIKeyQQXDRAYVDOPUTK-UHFFFAOYSA-N
MW396.48 g/mol
LogP1.84
Rot. Bonds6

About 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxamide

5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxamide (PubChem CID 58873925) has the molecular formula C18H20N8OS and a molecular weight of 396.48 g/mol. Its IUPAC name is 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxamide
PubChem CID58873925
Molecular FormulaC18H20N8OS
Molecular Weight396.48 g/mol
Exact Mass396.15
IUPAC Name5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxamide
SMILESCc1cc(Nc2nc(CCN)cn3c(-c4cnn(C)c4)cnc23)sc1C(N)=O
InChIInChI=1S/C18H20N8OS/c1-10-5-14(28-15(10)16(20)27)24-17-18-21-7-13(11-6-22-25(2)8-11)26(18)9-12(23-17)3-4-19/h5-9H,3-4,19H2,1-2H3,(H2,20,27)(H,23,24)
InChIKeyQQXDRAYVDOPUTK-UHFFFAOYSA-N
XLogP1.84
TPSA129.15 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxamide?
The IUPAC name of 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxamide (CID 58873925) is 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxamide?
The canonical SMILES for 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxamide is Cc1cc(Nc2nc(CCN)cn3c(-c4cnn(C)c4)cnc23)sc1C(N)=O.
What is the InChIKey of 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxamide?
The InChIKey is QQXDRAYVDOPUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8OS/c1-10-5-14(28-15(10)16(20)27)24-17-18-21-7-13(11-6-22-25(2)8-11)26(18)9-12(23-17)3-4-19/h5-9H,3-4,19H2,1-2H3,(H2,20,27)(H,23,24).
What are the key properties of 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxamide?
5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxamide has a molecular weight of 396.48 g/mol, XLogP of 1.84, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 58873925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).