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

C24H23F2N5O2 — CID 90412031

IUPAC2-[4-[3-cyano-5-fluoro-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(F)cnc2[nH]c(C3=CCN(CC(=O)N(C)C)CC3)c(C#N)c12
InChIInChI=1S/C24H23F2N5O2/c1-30(2)20(32)13-31-8-6-14(7-9-31)23-17(11-27)22-21(18(26)12-28-24(22)29-23)16-10-15(25)4-5-19(16)33-3/h4-6,10,12H,7-9,13H2,1-3H3,(H,28,29)
InChIKeyCPSHEJWHIPDXTC-UHFFFAOYSA-N
MW451.48 g/mol
LogP3.57
Rot. Bonds5

About 2-[4-[3-cyano-5-fluoro-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-[3-cyano-5-fluoro-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 90412031) has the molecular formula C24H23F2N5O2 and a molecular weight of 451.48 g/mol. Its IUPAC name is 2-[4-[3-cyano-5-fluoro-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-[3-cyano-5-fluoro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide
PubChem CID90412031
Molecular FormulaC24H23F2N5O2
Molecular Weight451.48 g/mol
Exact Mass451.18
IUPAC Name2-[4-[3-cyano-5-fluoro-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(F)cnc2[nH]c(C3=CCN(CC(=O)N(C)C)CC3)c(C#N)c12
InChIInChI=1S/C24H23F2N5O2/c1-30(2)20(32)13-31-8-6-14(7-9-31)23-17(11-27)22-21(18(26)12-28-24(22)29-23)16-10-15(25)4-5-19(16)33-3/h4-6,10,12H,7-9,13H2,1-3H3,(H,28,29)
InChIKeyCPSHEJWHIPDXTC-UHFFFAOYSA-N
XLogP3.57
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[3-cyano-5-fluoro-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-[3-cyano-5-fluoro-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-[3-cyano-5-fluoro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide (CID 90412031) is 2-[4-[3-cyano-5-fluoro-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-[3-cyano-5-fluoro-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-[3-cyano-5-fluoro-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(F)cnc2[nH]c(C3=CCN(CC(=O)N(C)C)CC3)c(C#N)c12.
What is the InChIKey of 2-[4-[3-cyano-5-fluoro-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 CPSHEJWHIPDXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O2/c1-30(2)20(32)13-31-8-6-14(7-9-31)23-17(11-27)22-21(18(26)12-28-24(22)29-23)16-10-15(25)4-5-19(16)33-3/h4-6,10,12H,7-9,13H2,1-3H3,(H,28,29).
What are the key properties of 2-[4-[3-cyano-5-fluoro-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-[3-cyano-5-fluoro-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 451.48 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-cyano-5-fluoro-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 90412031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).