methyl 4-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperazine-2-carboxylate

C17H23N5O3S — CID 23401051

IUPACmethyl 4-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperazine-2-carboxylate
SMILESCCCc1cc(N2CCNC(C(=O)OC)C2)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C17H23N5O3S/c1-3-4-9-7-11(22-6-5-20-10(8-22)17(24)25-2)21-16-12(9)13(18)14(26-16)15(19)23/h7,10,20H,3-6,8,18H2,1-2H3,(H2,19,23)
InChIKeyIIYYLFKGGQNGPL-UHFFFAOYSA-N
MW377.47 g/mol
LogP0.88
Rot. Bonds5

About methyl 4-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperazine-2-carboxylate

methyl 4-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperazine-2-carboxylate (PubChem CID 23401051) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is methyl 4-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperazine-2-carboxylate
PubChem CID23401051
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC Namemethyl 4-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperazine-2-carboxylate
SMILESCCCc1cc(N2CCNC(C(=O)OC)C2)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C17H23N5O3S/c1-3-4-9-7-11(22-6-5-20-10(8-22)17(24)25-2)21-16-12(9)13(18)14(26-16)15(19)23/h7,10,20H,3-6,8,18H2,1-2H3,(H2,19,23)
InChIKeyIIYYLFKGGQNGPL-UHFFFAOYSA-N
XLogP0.88
TPSA123.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

3-amino-6-(1,4-diazepan-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23400922
3-amino-6-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23400921
3-amino-6-[(3S)-3-aminopyrrolidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
CID 23400853
3-amino-6-[(3R)-3-aminopyrrolidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
CID 142776840
3-amino-6-[4-(2-hydroxyethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23400958
tert-butyl 4-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperazine-1-carboxylate
CID 23401058
3-amino-6-(4-amino-4-cyanopiperidin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23400987
3-amino-6-[4-(dimethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
CID 22278580
methyl 2-[[4-[2-[[1-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperidin-4-yl]amino]-1-hydroxyethyl]benzoyl]amino]acetate
CID 23586351
3-amino-6-[4-(methylcarbamoylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
CID 22278562
3-amino-6-[4-[ethyl-(2-hydroxythiophen-3-yl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide
CID 90768975
methane;methyl 2-[[4-[2-[[1-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperidin-4-yl]amino]-1-hydroxyethyl]benzoyl]amino]acetate
CID 160790249

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperazine-2-carboxylate?
The IUPAC name of methyl 4-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperazine-2-carboxylate (CID 23401051) is methyl 4-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperazine-2-carboxylate.
What is the SMILES notation for methyl 4-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperazine-2-carboxylate?
The canonical SMILES for methyl 4-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperazine-2-carboxylate is CCCc1cc(N2CCNC(C(=O)OC)C2)nc2sc(C(N)=O)c(N)c12.
What is the InChIKey of methyl 4-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperazine-2-carboxylate?
The InChIKey is IIYYLFKGGQNGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-3-4-9-7-11(22-6-5-20-10(8-22)17(24)25-2)21-16-12(9)13(18)14(26-16)15(19)23/h7,10,20H,3-6,8,18H2,1-2H3,(H2,19,23).
What are the key properties of methyl 4-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperazine-2-carboxylate?
methyl 4-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperazine-2-carboxylate has a molecular weight of 377.47 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperazine-2-carboxylate is sourced from PubChem (CID 23401051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).