N,N,3-trimethyl-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 58873955

IUPACN,N,3-trimethyl-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
SMILESCc1cc(Nc2nc(C3=CCCNC3)cn3c(-c4cnn(C)c4)cnc23)sc1C(=O)N(C)C
InChIInChI=1S/C23H26N8OS/c1-14-8-19(33-20(14)23(32)29(2)3)28-21-22-25-11-18(16-10-26-30(4)12-16)31(22)13-17(27-21)15-6-5-7-24-9-15/h6,8,10-13,24H,5,7,9H2,1-4H3,(H,27,28)
InChIKeyVCJQWSHIXPDSQZ-UHFFFAOYSA-N
MW462.58 g/mol
LogP3.32
Rot. Bonds5

About N,N,3-trimethyl-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,N,3-trimethyl-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 58873955) has the molecular formula C23H26N8OS and a molecular weight of 462.58 g/mol. Its IUPAC name is N,N,3-trimethyl-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,N,3-trimethyl-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 CID58873955
Molecular FormulaC23H26N8OS
Molecular Weight462.58 g/mol
Exact Mass462.20
IUPAC NameN,N,3-trimethyl-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
SMILESCc1cc(Nc2nc(C3=CCCNC3)cn3c(-c4cnn(C)c4)cnc23)sc1C(=O)N(C)C
InChIInChI=1S/C23H26N8OS/c1-14-8-19(33-20(14)23(32)29(2)3)28-21-22-25-11-18(16-10-26-30(4)12-16)31(22)13-17(27-21)15-6-5-7-24-9-15/h6,8,10-13,24H,5,7,9H2,1-4H3,(H,27,28)
InChIKeyVCJQWSHIXPDSQZ-UHFFFAOYSA-N
XLogP3.32
TPSA92.38 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N,N,3-trimethyl-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-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,N,3-trimethyl-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 58873955) is N,N,3-trimethyl-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,N,3-trimethyl-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,N,3-trimethyl-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 Cc1cc(Nc2nc(C3=CCCNC3)cn3c(-c4cnn(C)c4)cnc23)sc1C(=O)N(C)C.
What is the InChIKey of N,N,3-trimethyl-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 VCJQWSHIXPDSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8OS/c1-14-8-19(33-20(14)23(32)29(2)3)28-21-22-25-11-18(16-10-26-30(4)12-16)31(22)13-17(27-21)15-6-5-7-24-9-15/h6,8,10-13,24H,5,7,9H2,1-4H3,(H,27,28).
What are the key properties of N,N,3-trimethyl-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,N,3-trimethyl-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 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-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 58873955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).