4-[2-amino-3-(3-chloro-4-fluoroanilino)furo[2,3-c]pyridin-7-yl]-N-propylpyridine-2-carboxamide

C22H19ClFN5O2 — CID 86580678

IUPAC4-[2-amino-3-(3-chloro-4-fluoroanilino)furo[2,3-c]pyridin-7-yl]-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1cc(-c2nccc3c(Nc4ccc(F)c(Cl)c4)c(N)oc23)ccn1
InChIInChI=1S/C22H19ClFN5O2/c1-2-7-28-22(30)17-10-12(5-8-26-17)18-20-14(6-9-27-18)19(21(25)31-20)29-13-3-4-16(24)15(23)11-13/h3-6,8-11,29H,2,7,25H2,1H3,(H,28,30)
InChIKeyLBUQFEGLLFOVCL-UHFFFAOYSA-N
MW439.88 g/mol
LogP5.15
Rot. Bonds6

About 4-[2-amino-3-(3-chloro-4-fluoroanilino)furo[2,3-c]pyridin-7-yl]-N-propylpyridine-2-carboxamide

4-[2-amino-3-(3-chloro-4-fluoroanilino)furo[2,3-c]pyridin-7-yl]-N-propylpyridine-2-carboxamide (PubChem CID 86580678) has the molecular formula C22H19ClFN5O2 and a molecular weight of 439.88 g/mol. Its IUPAC name is 4-[2-amino-3-(3-chloro-4-fluoroanilino)furo[2,3-c]pyridin-7-yl]-N-propylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-amino-3-(3-chloro-4-fluoroanilino)furo[2,3-c]pyridin-7-yl]-N-propylpyridine-2-carboxamide
PubChem CID86580678
Molecular FormulaC22H19ClFN5O2
Molecular Weight439.88 g/mol
Exact Mass439.12
IUPAC Name4-[2-amino-3-(3-chloro-4-fluoroanilino)furo[2,3-c]pyridin-7-yl]-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1cc(-c2nccc3c(Nc4ccc(F)c(Cl)c4)c(N)oc23)ccn1
InChIInChI=1S/C22H19ClFN5O2/c1-2-7-28-22(30)17-10-12(5-8-26-17)18-20-14(6-9-27-18)19(21(25)31-20)29-13-3-4-16(24)15(23)11-13/h3-6,8-11,29H,2,7,25H2,1H3,(H,28,30)
InChIKeyLBUQFEGLLFOVCL-UHFFFAOYSA-N
XLogP5.15
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.88
LogP ≤ 55.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-3-(3-chloro-4-fluoroanilino)furo[2,3-c]pyridin-7-yl]-N-propylpyridine-2-carboxamide?
The IUPAC name of 4-[2-amino-3-(3-chloro-4-fluoroanilino)furo[2,3-c]pyridin-7-yl]-N-propylpyridine-2-carboxamide (CID 86580678) is 4-[2-amino-3-(3-chloro-4-fluoroanilino)furo[2,3-c]pyridin-7-yl]-N-propylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-amino-3-(3-chloro-4-fluoroanilino)furo[2,3-c]pyridin-7-yl]-N-propylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-amino-3-(3-chloro-4-fluoroanilino)furo[2,3-c]pyridin-7-yl]-N-propylpyridine-2-carboxamide is CCCNC(=O)c1cc(-c2nccc3c(Nc4ccc(F)c(Cl)c4)c(N)oc23)ccn1.
What is the InChIKey of 4-[2-amino-3-(3-chloro-4-fluoroanilino)furo[2,3-c]pyridin-7-yl]-N-propylpyridine-2-carboxamide?
The InChIKey is LBUQFEGLLFOVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN5O2/c1-2-7-28-22(30)17-10-12(5-8-26-17)18-20-14(6-9-27-18)19(21(25)31-20)29-13-3-4-16(24)15(23)11-13/h3-6,8-11,29H,2,7,25H2,1H3,(H,28,30).
What are the key properties of 4-[2-amino-3-(3-chloro-4-fluoroanilino)furo[2,3-c]pyridin-7-yl]-N-propylpyridine-2-carboxamide?
4-[2-amino-3-(3-chloro-4-fluoroanilino)furo[2,3-c]pyridin-7-yl]-N-propylpyridine-2-carboxamide has a molecular weight of 439.88 g/mol, XLogP of 5.15, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-3-(3-chloro-4-fluoroanilino)furo[2,3-c]pyridin-7-yl]-N-propylpyridine-2-carboxamide is sourced from PubChem (CID 86580678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).