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

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

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Related Compounds

N-{4-[3-(5-methoxypyridin-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide
CID 121411739
N-{4-[3-(6-methoxypyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide
CID 121411874
2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-(2-phenylethoxy)-1H-imidazo[4,5-b]pyridine
CID 10172593
3-Methoxy-N-[3-(1-methyl-piperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-benzamide
CID 11068509
N-(3-Methyl-4-((6-methylpyridin-3-yl)oxy)phenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 56849556
N-(6-Methoxypyridin-3-yl)-3-(9H-purin-6-yl)pyridin-2-amine
CID 59548232
N-(6-methoxypyridin-3-yl)-3-(2-methyl-9H-purin-6-yl)pyridin-2-amine
CID 59548383
7-(6-methoxy-3-pyridinyl)-2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazine
CID 90105551
4-(4-methylpiperazin-1-yl)-2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridine
CID 117769490
4-(1-Methylethoxy)-2-(4-morpholinyl)-8-(1H-pyrrol-3-yl)-1,7-naphthyridine
CID 118869331
Tgf|ari-IN-1
CID 121411850
US20190276450, Example 22.2
CID 139464759

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).