N-[4-[3-[6-(difluoromethyl)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide

C20H15F2N5O — CID 121412063

IUPACN-[4-[3-[6-(difluoromethyl)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2[nH]c3cccnc3c2-c2cccc(C(F)F)n2)ccn1
InChIInChI=1S/C20H15F2N5O/c1-11(28)25-16-10-12(7-9-23-16)18-17(19-14(27-18)6-3-8-24-19)13-4-2-5-15(26-13)20(21)22/h2-10,20,27H,1H3,(H,23,25,28)
InChIKeyVWSFKHLXKXHRDY-UHFFFAOYSA-N
MW379.37 g/mol
LogP4.58
Rot. Bonds4

About N-[4-[3-[6-(difluoromethyl)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide

N-[4-[3-[6-(difluoromethyl)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide (PubChem CID 121412063) has the molecular formula C20H15F2N5O and a molecular weight of 379.37 g/mol. Its IUPAC name is N-[4-[3-[6-(difluoromethyl)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[6-(difluoromethyl)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
PubChem CID121412063
Molecular FormulaC20H15F2N5O
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC NameN-[4-[3-[6-(difluoromethyl)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2[nH]c3cccnc3c2-c2cccc(C(F)F)n2)ccn1
InChIInChI=1S/C20H15F2N5O/c1-11(28)25-16-10-12(7-9-23-16)18-17(19-14(27-18)6-3-8-24-19)13-4-2-5-15(26-13)20(21)22/h2-10,20,27H,1H3,(H,23,25,28)
InChIKeyVWSFKHLXKXHRDY-UHFFFAOYSA-N
XLogP4.58
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[6-(difluoromethyl)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[3-[6-(difluoromethyl)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide (CID 121412063) is N-[4-[3-[6-(difluoromethyl)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[3-[6-(difluoromethyl)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[3-[6-(difluoromethyl)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2[nH]c3cccnc3c2-c2cccc(C(F)F)n2)ccn1.
What is the InChIKey of N-[4-[3-[6-(difluoromethyl)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?
The InChIKey is VWSFKHLXKXHRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5O/c1-11(28)25-16-10-12(7-9-23-16)18-17(19-14(27-18)6-3-8-24-19)13-4-2-5-15(26-13)20(21)22/h2-10,20,27H,1H3,(H,23,25,28).
What are the key properties of N-[4-[3-[6-(difluoromethyl)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?
N-[4-[3-[6-(difluoromethyl)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide has a molecular weight of 379.37 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[6-(difluoromethyl)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 121412063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).