2-cyclopentyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]acetamide;hydrochloride

C23H29ClN4O — CID 171667292

IUPAC2-cyclopentyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]acetamide;hydrochloride
SMILESCc1ncccc1-c1cc2cccnc2n1CCCNC(=O)CC1CCCC1.Cl
InChIInChI=1S/C23H28N4O.ClH/c1-17-20(10-5-11-24-17)21-16-19-9-4-12-26-23(19)27(21)14-6-13-25-22(28)15-18-7-2-3-8-18;/h4-5,9-12,16,18H,2-3,6-8,13-15H2,1H3,(H,25,28);1H
InChIKeyBONRADYWLHDKHV-UHFFFAOYSA-N
MW412.97 g/mol
LogP4.92
Rot. Bonds7

About 2-cyclopentyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]acetamide;hydrochloride

2-cyclopentyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]acetamide;hydrochloride (PubChem CID 171667292) has the molecular formula C23H29ClN4O and a molecular weight of 412.97 g/mol. Its IUPAC name is 2-cyclopentyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-cyclopentyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]acetamide;hydrochloride
PubChem CID171667292
Molecular FormulaC23H29ClN4O
Molecular Weight412.97 g/mol
Exact Mass412.20
IUPAC Name2-cyclopentyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]acetamide;hydrochloride
SMILESCc1ncccc1-c1cc2cccnc2n1CCCNC(=O)CC1CCCC1.Cl
InChIInChI=1S/C23H28N4O.ClH/c1-17-20(10-5-11-24-17)21-16-19-9-4-12-26-23(19)27(21)14-6-13-25-22(28)15-18-7-2-3-8-18;/h4-5,9-12,16,18H,2-3,6-8,13-15H2,1H3,(H,25,28);1H
InChIKeyBONRADYWLHDKHV-UHFFFAOYSA-N
XLogP4.92
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.97
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]acetamide;hydrochloride?
The IUPAC name of 2-cyclopentyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]acetamide;hydrochloride (CID 171667292) is 2-cyclopentyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]acetamide;hydrochloride.
What is the SMILES notation for 2-cyclopentyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]acetamide;hydrochloride?
The canonical SMILES for 2-cyclopentyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]acetamide;hydrochloride is Cc1ncccc1-c1cc2cccnc2n1CCCNC(=O)CC1CCCC1.Cl.
What is the InChIKey of 2-cyclopentyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]acetamide;hydrochloride?
The InChIKey is BONRADYWLHDKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O.ClH/c1-17-20(10-5-11-24-17)21-16-19-9-4-12-26-23(19)27(21)14-6-13-25-22(28)15-18-7-2-3-8-18;/h4-5,9-12,16,18H,2-3,6-8,13-15H2,1H3,(H,25,28);1H.
What are the key properties of 2-cyclopentyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]acetamide;hydrochloride?
2-cyclopentyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]acetamide;hydrochloride has a molecular weight of 412.97 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]acetamide;hydrochloride is sourced from PubChem (CID 171667292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).