N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide

C20H16FN5O2 — CID 58487083

IUPACN-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide
SMILESCn1nc(-c2ccco2)cc1-c1ccc(NC(=O)c2ccccc2F)nc1N
InChIInChI=1S/C20H16FN5O2/c1-26-16(11-15(25-26)17-7-4-10-28-17)13-8-9-18(23-19(13)22)24-20(27)12-5-2-3-6-14(12)21/h2-11H,1H3,(H3,22,23,24,27)
InChIKeyOORYWTKQIVMODZ-UHFFFAOYSA-N
MW377.38 g/mol
LogP3.72
Rot. Bonds4

About N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide

N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide (PubChem CID 58487083) has the molecular formula C20H16FN5O2 and a molecular weight of 377.38 g/mol. Its IUPAC name is N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide
PubChem CID58487083
Molecular FormulaC20H16FN5O2
Molecular Weight377.38 g/mol
Exact Mass377.13
IUPAC NameN-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide
SMILESCn1nc(-c2ccco2)cc1-c1ccc(NC(=O)c2ccccc2F)nc1N
InChIInChI=1S/C20H16FN5O2/c1-26-16(11-15(25-26)17-7-4-10-28-17)13-8-9-18(23-19(13)22)24-20(27)12-5-2-3-6-14(12)21/h2-11H,1H3,(H3,22,23,24,27)
InChIKeyOORYWTKQIVMODZ-UHFFFAOYSA-N
XLogP3.72
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide?
The IUPAC name of N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide (CID 58487083) is N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide.
What is the SMILES notation for N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide?
The canonical SMILES for N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide is Cn1nc(-c2ccco2)cc1-c1ccc(NC(=O)c2ccccc2F)nc1N.
What is the InChIKey of N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide?
The InChIKey is OORYWTKQIVMODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2/c1-26-16(11-15(25-26)17-7-4-10-28-17)13-8-9-18(23-19(13)22)24-20(27)12-5-2-3-6-14(12)21/h2-11H,1H3,(H3,22,23,24,27).
What are the key properties of N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide?
N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide has a molecular weight of 377.38 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 58487083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).