N-[1-[6-(3-cyanofuran-2-yl)-2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide

C20H14F2N6O2 — CID 170577470

IUPACN-[1-[6-(3-cyanofuran-2-yl)-2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(ccn2-c2cc(-c3occc3C#N)nc(C(C)(F)F)n2)cn1
InChIInChI=1S/C20H14F2N6O2/c1-11(29)25-16-8-15-13(10-24-16)3-5-28(15)17-7-14(18-12(9-23)4-6-30-18)26-19(27-17)20(2,21)22/h3-8,10H,1-2H3,(H,24,25,29)
InChIKeyIIJTYTFTJYFGKU-UHFFFAOYSA-N
MW408.37 g/mol
LogP4.02
Rot. Bonds4

About N-[1-[6-(3-cyanofuran-2-yl)-2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide

N-[1-[6-(3-cyanofuran-2-yl)-2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide (PubChem CID 170577470) has the molecular formula C20H14F2N6O2 and a molecular weight of 408.37 g/mol. Its IUPAC name is N-[1-[6-(3-cyanofuran-2-yl)-2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-[6-(3-cyanofuran-2-yl)-2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide
PubChem CID170577470
Molecular FormulaC20H14F2N6O2
Molecular Weight408.37 g/mol
Exact Mass408.11
IUPAC NameN-[1-[6-(3-cyanofuran-2-yl)-2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(ccn2-c2cc(-c3occc3C#N)nc(C(C)(F)F)n2)cn1
InChIInChI=1S/C20H14F2N6O2/c1-11(29)25-16-8-15-13(10-24-16)3-5-28(15)17-7-14(18-12(9-23)4-6-30-18)26-19(27-17)20(2,21)22/h3-8,10H,1-2H3,(H,24,25,29)
InChIKeyIIJTYTFTJYFGKU-UHFFFAOYSA-N
XLogP4.02
TPSA109.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(3-cyanofuran-2-yl)-2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide?
The IUPAC name of N-[1-[6-(3-cyanofuran-2-yl)-2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide (CID 170577470) is N-[1-[6-(3-cyanofuran-2-yl)-2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[1-[6-(3-cyanofuran-2-yl)-2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-[1-[6-(3-cyanofuran-2-yl)-2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide is CC(=O)Nc1cc2c(ccn2-c2cc(-c3occc3C#N)nc(C(C)(F)F)n2)cn1.
What is the InChIKey of N-[1-[6-(3-cyanofuran-2-yl)-2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide?
The InChIKey is IIJTYTFTJYFGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N6O2/c1-11(29)25-16-8-15-13(10-24-16)3-5-28(15)17-7-14(18-12(9-23)4-6-30-18)26-19(27-17)20(2,21)22/h3-8,10H,1-2H3,(H,24,25,29).
What are the key properties of N-[1-[6-(3-cyanofuran-2-yl)-2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide?
N-[1-[6-(3-cyanofuran-2-yl)-2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide has a molecular weight of 408.37 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(3-cyanofuran-2-yl)-2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 170577470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).