6-oxo-7-(4-propoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C23H28N4O3 — CID 118963776

IUPAC6-oxo-7-(4-propoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCCCOc1ccc(-n2c(=O)ccc3cc(C(=O)NCCN4CCCC4)[nH]c32)cc1
InChIInChI=1S/C23H28N4O3/c1-2-15-30-19-8-6-18(7-9-19)27-21(28)10-5-17-16-20(25-22(17)27)23(29)24-11-14-26-12-3-4-13-26/h5-10,16,25H,2-4,11-15H2,1H3,(H,24,29)
InChIKeyFHLJNSFQCVLCKL-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.93
Rot. Bonds8

About 6-oxo-7-(4-propoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

6-oxo-7-(4-propoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 118963776) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 6-oxo-7-(4-propoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-oxo-7-(4-propoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID118963776
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name6-oxo-7-(4-propoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCCCOc1ccc(-n2c(=O)ccc3cc(C(=O)NCCN4CCCC4)[nH]c32)cc1
InChIInChI=1S/C23H28N4O3/c1-2-15-30-19-8-6-18(7-9-19)27-21(28)10-5-17-16-20(25-22(17)27)23(29)24-11-14-26-12-3-4-13-26/h5-10,16,25H,2-4,11-15H2,1H3,(H,24,29)
InChIKeyFHLJNSFQCVLCKL-UHFFFAOYSA-N
XLogP2.93
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-7-(4-propoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 6-oxo-7-(4-propoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 118963776) is 6-oxo-7-(4-propoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 6-oxo-7-(4-propoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 6-oxo-7-(4-propoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is CCCOc1ccc(-n2c(=O)ccc3cc(C(=O)NCCN4CCCC4)[nH]c32)cc1.
What is the InChIKey of 6-oxo-7-(4-propoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is FHLJNSFQCVLCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-2-15-30-19-8-6-18(7-9-19)27-21(28)10-5-17-16-20(25-22(17)27)23(29)24-11-14-26-12-3-4-13-26/h5-10,16,25H,2-4,11-15H2,1H3,(H,24,29).
What are the key properties of 6-oxo-7-(4-propoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
6-oxo-7-(4-propoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-7-(4-propoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 118963776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).