[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylate

C23H26N4O4S — CID 43015392

IUPAC[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylate
SMILESCc1cc(C)c2c(-n3cccc3)c(C(=O)OC(C)C(=O)NC(=O)NC3CCCC3)sc2n1
InChIInChI=1S/C23H26N4O4S/c1-13-12-14(2)24-21-17(13)18(27-10-6-7-11-27)19(32-21)22(29)31-15(3)20(28)26-23(30)25-16-8-4-5-9-16/h6-7,10-12,15-16H,4-5,8-9H2,1-3H3,(H2,25,26,28,30)
InChIKeyCBKNCLUNJJWMES-UHFFFAOYSA-N
MW454.55 g/mol
LogP4.02
Rot. Bonds5

About [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylate

[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylate (PubChem CID 43015392) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Name[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylate
PubChem CID43015392
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC Name[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylate
SMILESCc1cc(C)c2c(-n3cccc3)c(C(=O)OC(C)C(=O)NC(=O)NC3CCCC3)sc2n1
InChIInChI=1S/C23H26N4O4S/c1-13-12-14(2)24-21-17(13)18(27-10-6-7-11-27)19(32-21)22(29)31-15(3)20(28)26-23(30)25-16-8-4-5-9-16/h6-7,10-12,15-16H,4-5,8-9H2,1-3H3,(H2,25,26,28,30)
InChIKeyCBKNCLUNJJWMES-UHFFFAOYSA-N
XLogP4.02
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylate with MolForge

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Related Compounds

[1-(cyclohexylamino)-1-oxopropan-2-yl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 46696989
[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate
CID 46790726
[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 9383903
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate
CID 8666760
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7246964
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethylbenzoate
CID 7749163
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] naphthalene-2-carboxylate
CID 40616563
[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 1H-pyrrole-2-carboxylate
CID 9382185
3-amino-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 865531
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-hydroxy-3-methylbenzoate
CID 7840512
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 5,6-dichloropyridine-3-carboxylate
CID 8021667
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(methylamino)benzoate
CID 7373033

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylate (CID 43015392) is [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylate is Cc1cc(C)c2c(-n3cccc3)c(C(=O)OC(C)C(=O)NC(=O)NC3CCCC3)sc2n1.
What is the InChIKey of [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is CBKNCLUNJJWMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S/c1-13-12-14(2)24-21-17(13)18(27-10-6-7-11-27)19(32-21)22(29)31-15(3)20(28)26-23(30)25-16-8-4-5-9-16/h6-7,10-12,15-16H,4-5,8-9H2,1-3H3,(H2,25,26,28,30).
What are the key properties of [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylate?
[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 454.55 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 43015392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).