N-ethyl-3-methyl-5-[[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-carboxamide

C23H26N8OS — CID 58873828

IUPACN-ethyl-3-methyl-5-[[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-carboxamide
SMILESCCNC(=O)c1sc(Nc2nc(C3=CCCNC3)cn3c(-c4cnn(C)c4)cnc23)cc1C
InChIInChI=1S/C23H26N8OS/c1-4-25-23(32)20-14(2)8-19(33-20)29-21-22-26-11-18(16-10-27-30(3)12-16)31(22)13-17(28-21)15-6-5-7-24-9-15/h6,8,10-13,24H,4-5,7,9H2,1-3H3,(H,25,32)(H,28,29)
InChIKeyWFBIBWOKFSCBAU-UHFFFAOYSA-N
MW462.58 g/mol
LogP3.37
Rot. Bonds6

About N-ethyl-3-methyl-5-[[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-carboxamide

N-ethyl-3-methyl-5-[[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-carboxamide (PubChem CID 58873828) has the molecular formula C23H26N8OS and a molecular weight of 462.58 g/mol. Its IUPAC name is N-ethyl-3-methyl-5-[[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-5-[[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-carboxamide
PubChem CID58873828
Molecular FormulaC23H26N8OS
Molecular Weight462.58 g/mol
Exact Mass462.20
IUPAC NameN-ethyl-3-methyl-5-[[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-carboxamide
SMILESCCNC(=O)c1sc(Nc2nc(C3=CCCNC3)cn3c(-c4cnn(C)c4)cnc23)cc1C
InChIInChI=1S/C23H26N8OS/c1-4-25-23(32)20-14(2)8-19(33-20)29-21-22-26-11-18(16-10-27-30(3)12-16)31(22)13-17(28-21)15-6-5-7-24-9-15/h6,8,10-13,24H,4-5,7,9H2,1-3H3,(H,25,32)(H,28,29)
InChIKeyWFBIBWOKFSCBAU-UHFFFAOYSA-N
XLogP3.37
TPSA101.17 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-5-[[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-carboxamide?
The IUPAC name of N-ethyl-3-methyl-5-[[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-carboxamide (CID 58873828) is N-ethyl-3-methyl-5-[[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-3-methyl-5-[[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-carboxamide?
The canonical SMILES for N-ethyl-3-methyl-5-[[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-carboxamide is CCNC(=O)c1sc(Nc2nc(C3=CCCNC3)cn3c(-c4cnn(C)c4)cnc23)cc1C.
What is the InChIKey of N-ethyl-3-methyl-5-[[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-carboxamide?
The InChIKey is WFBIBWOKFSCBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8OS/c1-4-25-23(32)20-14(2)8-19(33-20)29-21-22-26-11-18(16-10-27-30(3)12-16)31(22)13-17(28-21)15-6-5-7-24-9-15/h6,8,10-13,24H,4-5,7,9H2,1-3H3,(H,25,32)(H,28,29).
What are the key properties of N-ethyl-3-methyl-5-[[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-carboxamide?
N-ethyl-3-methyl-5-[[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-carboxamide has a molecular weight of 462.58 g/mol, XLogP of 3.37, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-5-[[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-carboxamide is sourced from PubChem (CID 58873828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).