N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide

C22H28N4OS — CID 16676186

IUPACN-methyl-N-(1-propan-2-ylpiperidin-4-yl)-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
SMILESCC(C)N1CCC(N(C)C(=O)Cn2c(-c3cccs3)cc3cccnc32)CC1
InChIInChI=1S/C22H28N4OS/c1-16(2)25-11-8-18(9-12-25)24(3)21(27)15-26-19(20-7-5-13-28-20)14-17-6-4-10-23-22(17)26/h4-7,10,13-14,16,18H,8-9,11-12,15H2,1-3H3
InChIKeyVMZZNTXZOJFHFH-UHFFFAOYSA-N
MW396.56 g/mol
LogP4.10
Rot. Bonds5

About N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide

N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide (PubChem CID 16676186) has the molecular formula C22H28N4OS and a molecular weight of 396.56 g/mol. Its IUPAC name is N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(1-propan-2-ylpiperidin-4-yl)-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
PubChem CID16676186
Molecular FormulaC22H28N4OS
Molecular Weight396.56 g/mol
Exact Mass396.20
IUPAC NameN-methyl-N-(1-propan-2-ylpiperidin-4-yl)-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
SMILESCC(C)N1CCC(N(C)C(=O)Cn2c(-c3cccs3)cc3cccnc32)CC1
InChIInChI=1S/C22H28N4OS/c1-16(2)25-11-8-18(9-12-25)24(3)21(27)15-26-19(20-7-5-13-28-20)14-17-6-4-10-23-22(17)26/h4-7,10,13-14,16,18H,8-9,11-12,15H2,1-3H3
InChIKeyVMZZNTXZOJFHFH-UHFFFAOYSA-N
XLogP4.10
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide?
The IUPAC name of N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide (CID 16676186) is N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide.
What is the SMILES notation for N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide?
The canonical SMILES for N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide is CC(C)N1CCC(N(C)C(=O)Cn2c(-c3cccs3)cc3cccnc32)CC1.
What is the InChIKey of N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide?
The InChIKey is VMZZNTXZOJFHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4OS/c1-16(2)25-11-8-18(9-12-25)24(3)21(27)15-26-19(20-7-5-13-28-20)14-17-6-4-10-23-22(17)26/h4-7,10,13-14,16,18H,8-9,11-12,15H2,1-3H3.
What are the key properties of N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide?
N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide has a molecular weight of 396.56 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide is sourced from PubChem (CID 16676186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).