3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-5-fluoro-N-methylbenzamide

C20H19FN6O2 — CID 164525642

IUPAC3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-5-fluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(F)cc(CNc2ncc(-c3ccnc(N)n3)c3c2CCO3)c1
InChIInChI=1S/C20H19FN6O2/c1-23-19(28)12-6-11(7-13(21)8-12)9-25-18-14-3-5-29-17(14)15(10-26-18)16-2-4-24-20(22)27-16/h2,4,6-8,10H,3,5,9H2,1H3,(H,23,28)(H,25,26)(H2,22,24,27)
InChIKeyBWAPCNXEGTXOKG-UHFFFAOYSA-N
MW394.41 g/mol
LogP2.17
Rot. Bonds5

About 3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-5-fluoro-N-methylbenzamide

3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-5-fluoro-N-methylbenzamide (PubChem CID 164525642) has the molecular formula C20H19FN6O2 and a molecular weight of 394.41 g/mol. Its IUPAC name is 3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-5-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-5-fluoro-N-methylbenzamide
PubChem CID164525642
Molecular FormulaC20H19FN6O2
Molecular Weight394.41 g/mol
Exact Mass394.16
IUPAC Name3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-5-fluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(F)cc(CNc2ncc(-c3ccnc(N)n3)c3c2CCO3)c1
InChIInChI=1S/C20H19FN6O2/c1-23-19(28)12-6-11(7-13(21)8-12)9-25-18-14-3-5-29-17(14)15(10-26-18)16-2-4-24-20(22)27-16/h2,4,6-8,10H,3,5,9H2,1H3,(H,23,28)(H,25,26)(H2,22,24,27)
InChIKeyBWAPCNXEGTXOKG-UHFFFAOYSA-N
XLogP2.17
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-5-fluoro-N-methylbenzamide?
The IUPAC name of 3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-5-fluoro-N-methylbenzamide (CID 164525642) is 3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-5-fluoro-N-methylbenzamide.
What is the SMILES notation for 3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-5-fluoro-N-methylbenzamide?
The canonical SMILES for 3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-5-fluoro-N-methylbenzamide is CNC(=O)c1cc(F)cc(CNc2ncc(-c3ccnc(N)n3)c3c2CCO3)c1.
What is the InChIKey of 3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-5-fluoro-N-methylbenzamide?
The InChIKey is BWAPCNXEGTXOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O2/c1-23-19(28)12-6-11(7-13(21)8-12)9-25-18-14-3-5-29-17(14)15(10-26-18)16-2-4-24-20(22)27-16/h2,4,6-8,10H,3,5,9H2,1H3,(H,23,28)(H,25,26)(H2,22,24,27).
What are the key properties of 3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-5-fluoro-N-methylbenzamide?
3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-5-fluoro-N-methylbenzamide has a molecular weight of 394.41 g/mol, XLogP of 2.17, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-5-fluoro-N-methylbenzamide is sourced from PubChem (CID 164525642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).