N-[[(2S)-5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrazol-1-ylbenzamide

C24H19FN4O2 — CID 42340527

IUPACN-[[(2S)-5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrazol-1-ylbenzamide
SMILESO=C(NC[C@@H]1Cc2cc(F)cc(-c3cccnc3)c2O1)c1ccccc1-n1cccn1
InChIInChI=1S/C24H19FN4O2/c25-18-11-17-12-19(31-23(17)21(13-18)16-5-3-8-26-14-16)15-27-24(30)20-6-1-2-7-22(20)29-10-4-9-28-29/h1-11,13-14,19H,12,15H2,(H,27,30)/t19-/m0/s1
InChIKeyPADHJQXKMYIMMH-IBGZPJMESA-N
MW414.44 g/mol
LogP3.81
Rot. Bonds5

About N-[[(2S)-5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrazol-1-ylbenzamide

N-[[(2S)-5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrazol-1-ylbenzamide (PubChem CID 42340527) has the molecular formula C24H19FN4O2 and a molecular weight of 414.44 g/mol. Its IUPAC name is N-[[(2S)-5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[[(2S)-5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrazol-1-ylbenzamide
PubChem CID42340527
Molecular FormulaC24H19FN4O2
Molecular Weight414.44 g/mol
Exact Mass414.15
IUPAC NameN-[[(2S)-5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrazol-1-ylbenzamide
SMILESO=C(NC[C@@H]1Cc2cc(F)cc(-c3cccnc3)c2O1)c1ccccc1-n1cccn1
InChIInChI=1S/C24H19FN4O2/c25-18-11-17-12-19(31-23(17)21(13-18)16-5-3-8-26-14-16)15-27-24(30)20-6-1-2-7-22(20)29-10-4-9-28-29/h1-11,13-14,19H,12,15H2,(H,27,30)/t19-/m0/s1
InChIKeyPADHJQXKMYIMMH-IBGZPJMESA-N
XLogP3.81
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 45167267
(1R)-N-[[(2R)-5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-oxo-1,2-dihydroindene-1-carboxamide
CID 42340244
N-[[(2S)-5-fluoro-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 26342022
N-[[(2R)-5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 42371101
2,5-difluoro-N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 45178279
N-[[5-fluoro-7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 45215564
N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 45168534
N-[[(2R)-7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]naphthalene-2-carboxamide
CID 42407346
2-bromo-N-[(5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 46090136
1-methyl-N-[(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazole-3-carboxamide
CID 45166516
2-(3,4-difluorophenyl)-N-[(5-fluoro-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide
CID 45176529
2-(cyclohexen-1-yl)-N-[(5-fluoro-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide
CID 45169128

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrazol-1-ylbenzamide?
The IUPAC name of N-[[(2S)-5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrazol-1-ylbenzamide (CID 42340527) is N-[[(2S)-5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[[(2S)-5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[[(2S)-5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrazol-1-ylbenzamide is O=C(NC[C@@H]1Cc2cc(F)cc(-c3cccnc3)c2O1)c1ccccc1-n1cccn1.
What is the InChIKey of N-[[(2S)-5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrazol-1-ylbenzamide?
The InChIKey is PADHJQXKMYIMMH-IBGZPJMESA-N. The full InChI is InChI=1S/C24H19FN4O2/c25-18-11-17-12-19(31-23(17)21(13-18)16-5-3-8-26-14-16)15-27-24(30)20-6-1-2-7-22(20)29-10-4-9-28-29/h1-11,13-14,19H,12,15H2,(H,27,30)/t19-/m0/s1.
What are the key properties of N-[[(2S)-5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrazol-1-ylbenzamide?
N-[[(2S)-5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrazol-1-ylbenzamide has a molecular weight of 414.44 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrazol-1-ylbenzamide is sourced from PubChem (CID 42340527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).