N-[(4-fluorophenyl)methyl]-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide

C22H19FN4O2 — CID 53108037

IUPACN-[(4-fluorophenyl)methyl]-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nc(N2CCCC2)c2oc3ccccc3c2n1
InChIInChI=1S/C22H19FN4O2/c23-15-9-7-14(8-10-15)13-24-22(28)20-25-18-16-5-1-2-6-17(16)29-19(18)21(26-20)27-11-3-4-12-27/h1-2,5-10H,3-4,11-13H2,(H,24,28)
InChIKeyKYIVGZMZBCYRGF-UHFFFAOYSA-N
MW390.42 g/mol
LogP4.05
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide

N-[(4-fluorophenyl)methyl]-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide (PubChem CID 53108037) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide
PubChem CID53108037
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC NameN-[(4-fluorophenyl)methyl]-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nc(N2CCCC2)c2oc3ccccc3c2n1
InChIInChI=1S/C22H19FN4O2/c23-15-9-7-14(8-10-15)13-24-22(28)20-25-18-16-5-1-2-6-17(16)29-19(18)21(26-20)27-11-3-4-12-27/h1-2,5-10H,3-4,11-13H2,(H,24,28)
InChIKeyKYIVGZMZBCYRGF-UHFFFAOYSA-N
XLogP4.05
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide (CID 53108037) is N-[(4-fluorophenyl)methyl]-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide is O=C(NCc1ccc(F)cc1)c1nc(N2CCCC2)c2oc3ccccc3c2n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide?
The InChIKey is KYIVGZMZBCYRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2/c23-15-9-7-14(8-10-15)13-24-22(28)20-25-18-16-5-1-2-6-17(16)29-19(18)21(26-20)27-11-3-4-12-27/h1-2,5-10H,3-4,11-13H2,(H,24,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide has a molecular weight of 390.42 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 53108037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).