2-[4-[5-cyano-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N-(2-hydroxyethyl)-N-methylacetamide

C25H28FN5O3 — CID 90419839

IUPAC2-[4-[5-cyano-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N-(2-hydroxyethyl)-N-methylacetamide
SMILESCOc1ccc(F)cc1-c1c(C#N)cnc2[nH]c(C3CCN(CC(=O)N(C)CCO)CC3)cc12
InChIInChI=1S/C25H28FN5O3/c1-30(9-10-32)23(33)15-31-7-5-16(6-8-31)21-12-20-24(17(13-27)14-28-25(20)29-21)19-11-18(26)3-4-22(19)34-2/h3-4,11-12,14,16,32H,5-10,15H2,1-2H3,(H,28,29)
InChIKeyGFGGDSDMOLORQX-UHFFFAOYSA-N
MW465.53 g/mol
LogP2.88
Rot. Bonds7

About 2-[4-[5-cyano-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N-(2-hydroxyethyl)-N-methylacetamide

2-[4-[5-cyano-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N-(2-hydroxyethyl)-N-methylacetamide (PubChem CID 90419839) has the molecular formula C25H28FN5O3 and a molecular weight of 465.53 g/mol. Its IUPAC name is 2-[4-[5-cyano-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N-(2-hydroxyethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[5-cyano-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N-(2-hydroxyethyl)-N-methylacetamide
PubChem CID90419839
Molecular FormulaC25H28FN5O3
Molecular Weight465.53 g/mol
Exact Mass465.22
IUPAC Name2-[4-[5-cyano-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N-(2-hydroxyethyl)-N-methylacetamide
SMILESCOc1ccc(F)cc1-c1c(C#N)cnc2[nH]c(C3CCN(CC(=O)N(C)CCO)CC3)cc12
InChIInChI=1S/C25H28FN5O3/c1-30(9-10-32)23(33)15-31-7-5-16(6-8-31)21-12-20-24(17(13-27)14-28-25(20)29-21)19-11-18(26)3-4-22(19)34-2/h3-4,11-12,14,16,32H,5-10,15H2,1-2H3,(H,28,29)
InChIKeyGFGGDSDMOLORQX-UHFFFAOYSA-N
XLogP2.88
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[5-cyano-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N-(2-hydroxyethyl)-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-cyano-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N-(2-hydroxyethyl)-N-methylacetamide?
The IUPAC name of 2-[4-[5-cyano-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N-(2-hydroxyethyl)-N-methylacetamide (CID 90419839) is 2-[4-[5-cyano-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N-(2-hydroxyethyl)-N-methylacetamide.
What is the SMILES notation for 2-[4-[5-cyano-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N-(2-hydroxyethyl)-N-methylacetamide?
The canonical SMILES for 2-[4-[5-cyano-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N-(2-hydroxyethyl)-N-methylacetamide is COc1ccc(F)cc1-c1c(C#N)cnc2[nH]c(C3CCN(CC(=O)N(C)CCO)CC3)cc12.
What is the InChIKey of 2-[4-[5-cyano-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N-(2-hydroxyethyl)-N-methylacetamide?
The InChIKey is GFGGDSDMOLORQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O3/c1-30(9-10-32)23(33)15-31-7-5-16(6-8-31)21-12-20-24(17(13-27)14-28-25(20)29-21)19-11-18(26)3-4-22(19)34-2/h3-4,11-12,14,16,32H,5-10,15H2,1-2H3,(H,28,29).
What are the key properties of 2-[4-[5-cyano-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N-(2-hydroxyethyl)-N-methylacetamide?
2-[4-[5-cyano-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N-(2-hydroxyethyl)-N-methylacetamide has a molecular weight of 465.53 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-cyano-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N-(2-hydroxyethyl)-N-methylacetamide is sourced from PubChem (CID 90419839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).