2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-hydroxybutanamide

C22H20FN5O2 — CID 18175230

IUPAC2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-hydroxybutanamide
SMILESCC(O)C(N)C(=O)Nc1ccc2c(-c3ccncc3)c(-c3ccc(F)cc3)[nH]c2n1
InChIInChI=1S/C22H20FN5O2/c1-12(29)19(24)22(30)27-17-7-6-16-18(13-8-10-25-11-9-13)20(28-21(16)26-17)14-2-4-15(23)5-3-14/h2-12,19,29H,24H2,1H3,(H2,26,27,28,30)
InChIKeyZDDBLDSPTMEQDL-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.08
Rot. Bonds5

About 2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-hydroxybutanamide

2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-hydroxybutanamide (PubChem CID 18175230) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is 2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-hydroxybutanamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-hydroxybutanamide
PubChem CID18175230
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC Name2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-hydroxybutanamide
SMILESCC(O)C(N)C(=O)Nc1ccc2c(-c3ccncc3)c(-c3ccc(F)cc3)[nH]c2n1
InChIInChI=1S/C22H20FN5O2/c1-12(29)19(24)22(30)27-17-7-6-16-18(13-8-10-25-11-9-13)20(28-21(16)26-17)14-2-4-15(23)5-3-14/h2-12,19,29H,24H2,1H3,(H2,26,27,28,30)
InChIKeyZDDBLDSPTMEQDL-UHFFFAOYSA-N
XLogP3.08
TPSA116.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-hydroxybutanamide?
The IUPAC name of 2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-hydroxybutanamide (CID 18175230) is 2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-hydroxybutanamide.
What is the SMILES notation for 2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-hydroxybutanamide?
The canonical SMILES for 2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-hydroxybutanamide is CC(O)C(N)C(=O)Nc1ccc2c(-c3ccncc3)c(-c3ccc(F)cc3)[nH]c2n1.
What is the InChIKey of 2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-hydroxybutanamide?
The InChIKey is ZDDBLDSPTMEQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c1-12(29)19(24)22(30)27-17-7-6-16-18(13-8-10-25-11-9-13)20(28-21(16)26-17)14-2-4-15(23)5-3-14/h2-12,19,29H,24H2,1H3,(H2,26,27,28,30).
What are the key properties of 2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-hydroxybutanamide?
2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-hydroxybutanamide has a molecular weight of 405.43 g/mol, XLogP of 3.08, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-hydroxybutanamide is sourced from PubChem (CID 18175230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).