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

C24H27N7OS — CID 58364594

IUPAC5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-carboxamide
SMILESCc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)sc1C(=O)N(C)C
InChIInChI=1S/C24H27N7OS/c1-15-10-20(33-21(15)24(32)29(2)3)28-22-23-25-12-19(17-11-26-30(4)13-17)31(23)14-18(27-22)16-8-6-5-7-9-16/h8,10-14H,5-7,9H2,1-4H3,(H,27,28)
InChIKeyNSOYMYQJLLZMQE-UHFFFAOYSA-N
MW461.60 g/mol
LogP4.90
Rot. Bonds5

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

5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-carboxamide (PubChem CID 58364594) has the molecular formula C24H27N7OS and a molecular weight of 461.60 g/mol. Its IUPAC name is 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-carboxamide
PubChem CID58364594
Molecular FormulaC24H27N7OS
Molecular Weight461.60 g/mol
Exact Mass461.20
IUPAC Name5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-carboxamide
SMILESCc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)sc1C(=O)N(C)C
InChIInChI=1S/C24H27N7OS/c1-15-10-20(33-21(15)24(32)29(2)3)28-22-23-25-12-19(17-11-26-30(4)13-17)31(23)14-18(27-22)16-8-6-5-7-9-16/h8,10-14H,5-7,9H2,1-4H3,(H,27,28)
InChIKeyNSOYMYQJLLZMQE-UHFFFAOYSA-N
XLogP4.90
TPSA80.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.60
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-carboxamide?
The IUPAC name of 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-carboxamide (CID 58364594) is 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-carboxamide.
What is the SMILES notation for 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-carboxamide?
The canonical SMILES for 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-carboxamide is Cc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)sc1C(=O)N(C)C.
What is the InChIKey of 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-carboxamide?
The InChIKey is NSOYMYQJLLZMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7OS/c1-15-10-20(33-21(15)24(32)29(2)3)28-22-23-25-12-19(17-11-26-30(4)13-17)31(23)14-18(27-22)16-8-6-5-7-9-16/h8,10-14H,5-7,9H2,1-4H3,(H,27,28).
What are the key properties of 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-carboxamide?
5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-carboxamide has a molecular weight of 461.60 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-carboxamide is sourced from PubChem (CID 58364594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).