2-[2-amino-5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide

C22H20FN5O2 — CID 59824931

IUPAC2-[2-amino-5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide
SMILESCN(C)C(=O)C(O)c1cc(-c2cnc3[nH]cc(-c4ccccc4F)c3c2)cnc1N
InChIInChI=1S/C22H20FN5O2/c1-28(2)22(30)19(29)16-8-13(9-25-20(16)24)12-7-15-17(11-27-21(15)26-10-12)14-5-3-4-6-18(14)23/h3-11,19,29H,1-2H3,(H2,24,25)(H,26,27)
InChIKeyLBSKSMYLSYMLCE-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.13
Rot. Bonds4

About 2-[2-amino-5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide

2-[2-amino-5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide (PubChem CID 59824931) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is 2-[2-amino-5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-amino-5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide
PubChem CID59824931
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC Name2-[2-amino-5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide
SMILESCN(C)C(=O)C(O)c1cc(-c2cnc3[nH]cc(-c4ccccc4F)c3c2)cnc1N
InChIInChI=1S/C22H20FN5O2/c1-28(2)22(30)19(29)16-8-13(9-25-20(16)24)12-7-15-17(11-27-21(15)26-10-12)14-5-3-4-6-18(14)23/h3-11,19,29H,1-2H3,(H2,24,25)(H,26,27)
InChIKeyLBSKSMYLSYMLCE-UHFFFAOYSA-N
XLogP3.13
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide?
The IUPAC name of 2-[2-amino-5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide (CID 59824931) is 2-[2-amino-5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-amino-5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-amino-5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide is CN(C)C(=O)C(O)c1cc(-c2cnc3[nH]cc(-c4ccccc4F)c3c2)cnc1N.
What is the InChIKey of 2-[2-amino-5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide?
The InChIKey is LBSKSMYLSYMLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c1-28(2)22(30)19(29)16-8-13(9-25-20(16)24)12-7-15-17(11-27-21(15)26-10-12)14-5-3-4-6-18(14)23/h3-11,19,29H,1-2H3,(H2,24,25)(H,26,27).
What are the key properties of 2-[2-amino-5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide?
2-[2-amino-5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide has a molecular weight of 405.43 g/mol, XLogP of 3.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide is sourced from PubChem (CID 59824931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).