2-[4-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide

C23H24ClFN4O2 — CID 118897367

IUPAC2-[4-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide
SMILESCOc1ccc(F)cc1-c1c(Cl)cnc2[nH]c(C3=CCN(CC(=O)N(C)C)CC3)cc12
InChIInChI=1S/C23H24ClFN4O2/c1-28(2)21(30)13-29-8-6-14(7-9-29)19-11-17-22(18(24)12-26-23(17)27-19)16-10-15(25)4-5-20(16)31-3/h4-6,10-12H,7-9,13H2,1-3H3,(H,26,27)
InChIKeyXJWKIWOBXAHWMY-UHFFFAOYSA-N
MW442.92 g/mol
LogP4.21
Rot. Bonds5

About 2-[4-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide

2-[4-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide (PubChem CID 118897367) has the molecular formula C23H24ClFN4O2 and a molecular weight of 442.92 g/mol. Its IUPAC name is 2-[4-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide
PubChem CID118897367
Molecular FormulaC23H24ClFN4O2
Molecular Weight442.92 g/mol
Exact Mass442.16
IUPAC Name2-[4-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide
SMILESCOc1ccc(F)cc1-c1c(Cl)cnc2[nH]c(C3=CCN(CC(=O)N(C)C)CC3)cc12
InChIInChI=1S/C23H24ClFN4O2/c1-28(2)21(30)13-29-8-6-14(7-9-29)19-11-17-22(18(24)12-26-23(17)27-19)16-10-15(25)4-5-20(16)31-3/h4-6,10-12H,7-9,13H2,1-3H3,(H,26,27)
InChIKeyXJWKIWOBXAHWMY-UHFFFAOYSA-N
XLogP4.21
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.92
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide (CID 118897367) is 2-[4-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide is COc1ccc(F)cc1-c1c(Cl)cnc2[nH]c(C3=CCN(CC(=O)N(C)C)CC3)cc12.
What is the InChIKey of 2-[4-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide?
The InChIKey is XJWKIWOBXAHWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN4O2/c1-28(2)21(30)13-29-8-6-14(7-9-29)19-11-17-22(18(24)12-26-23(17)27-19)16-10-15(25)4-5-20(16)31-3/h4-6,10-12H,7-9,13H2,1-3H3,(H,26,27).
What are the key properties of 2-[4-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide?
2-[4-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide has a molecular weight of 442.92 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 118897367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).