N-[3-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2-pyridinyl]-2,2-dimethylpropanamide

C23H21FN4O — CID 90313607

IUPACN-[3-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ncccc1-c1ccc(-c2cnc3[nH]ccc3c2)c(F)c1
InChIInChI=1S/C23H21FN4O/c1-23(2,3)22(29)28-21-18(5-4-9-25-21)14-6-7-17(19(24)12-14)16-11-15-8-10-26-20(15)27-13-16/h4-13H,1-3H3,(H,26,27)(H,25,28,29)
InChIKeyPWQAWRPPEDDKNF-UHFFFAOYSA-N
MW388.45 g/mol
LogP5.42
Rot. Bonds3

About N-[3-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2-pyridinyl]-2,2-dimethylpropanamide

N-[3-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 90313607) has the molecular formula C23H21FN4O and a molecular weight of 388.45 g/mol. Its IUPAC name is N-[3-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2-pyridinyl]-2,2-dimethylpropanamide
PubChem CID90313607
Molecular FormulaC23H21FN4O
Molecular Weight388.45 g/mol
Exact Mass388.17
IUPAC NameN-[3-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ncccc1-c1ccc(-c2cnc3[nH]ccc3c2)c(F)c1
InChIInChI=1S/C23H21FN4O/c1-23(2,3)22(29)28-21-18(5-4-9-25-21)14-6-7-17(19(24)12-14)16-11-15-8-10-26-20(15)27-13-16/h4-13H,1-3H3,(H,26,27)(H,25,28,29)
InChIKeyPWQAWRPPEDDKNF-UHFFFAOYSA-N
XLogP5.42
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.45
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2-pyridinyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2-pyridinyl]-2,2-dimethylpropanamide (CID 90313607) is N-[3-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2-pyridinyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ncccc1-c1ccc(-c2cnc3[nH]ccc3c2)c(F)c1.
What is the InChIKey of N-[3-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2-pyridinyl]-2,2-dimethylpropanamide?
The InChIKey is PWQAWRPPEDDKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O/c1-23(2,3)22(29)28-21-18(5-4-9-25-21)14-6-7-17(19(24)12-14)16-11-15-8-10-26-20(15)27-13-16/h4-13H,1-3H3,(H,26,27)(H,25,28,29).
What are the key properties of N-[3-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2-pyridinyl]-2,2-dimethylpropanamide?
N-[3-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 388.45 g/mol, XLogP of 5.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 90313607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).