N-[4-[3-[5-(difluoromethoxy)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide

C20H15F2N5O2 — CID 121411994

IUPACN-[4-[3-[5-(difluoromethoxy)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2[nH]c3cccnc3c2-c2ccc(OC(F)F)cn2)ccn1
InChIInChI=1S/C20H15F2N5O2/c1-11(28)26-16-9-12(6-8-23-16)18-17(19-15(27-18)3-2-7-24-19)14-5-4-13(10-25-14)29-20(21)22/h2-10,20,27H,1H3,(H,23,26,28)
InChIKeyLVEVVRALVLYIQD-UHFFFAOYSA-N
MW395.37 g/mol
LogP4.25
Rot. Bonds5

About N-[4-[3-[5-(difluoromethoxy)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide

N-[4-[3-[5-(difluoromethoxy)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide (PubChem CID 121411994) has the molecular formula C20H15F2N5O2 and a molecular weight of 395.37 g/mol. Its IUPAC name is N-[4-[3-[5-(difluoromethoxy)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[5-(difluoromethoxy)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
PubChem CID121411994
Molecular FormulaC20H15F2N5O2
Molecular Weight395.37 g/mol
Exact Mass395.12
IUPAC NameN-[4-[3-[5-(difluoromethoxy)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2[nH]c3cccnc3c2-c2ccc(OC(F)F)cn2)ccn1
InChIInChI=1S/C20H15F2N5O2/c1-11(28)26-16-9-12(6-8-23-16)18-17(19-15(27-18)3-2-7-24-19)14-5-4-13(10-25-14)29-20(21)22/h2-10,20,27H,1H3,(H,23,26,28)
InChIKeyLVEVVRALVLYIQD-UHFFFAOYSA-N
XLogP4.25
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[5-(difluoromethoxy)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[3-[5-(difluoromethoxy)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide (CID 121411994) is N-[4-[3-[5-(difluoromethoxy)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[3-[5-(difluoromethoxy)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[3-[5-(difluoromethoxy)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2[nH]c3cccnc3c2-c2ccc(OC(F)F)cn2)ccn1.
What is the InChIKey of N-[4-[3-[5-(difluoromethoxy)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?
The InChIKey is LVEVVRALVLYIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5O2/c1-11(28)26-16-9-12(6-8-23-16)18-17(19-15(27-18)3-2-7-24-19)14-5-4-13(10-25-14)29-20(21)22/h2-10,20,27H,1H3,(H,23,26,28).
What are the key properties of N-[4-[3-[5-(difluoromethoxy)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?
N-[4-[3-[5-(difluoromethoxy)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide has a molecular weight of 395.37 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[5-(difluoromethoxy)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 121411994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).