[3-[(4-fluorophenyl)methylamino]-1-pyridin-2-ylpyrazol-4-yl]-(2-methoxyphenyl)methanone

C23H19FN4O2 — CID 142770563

IUPAC[3-[(4-fluorophenyl)methylamino]-1-pyridin-2-ylpyrazol-4-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)c1cn(-c2ccccn2)nc1NCc1ccc(F)cc1
InChIInChI=1S/C23H19FN4O2/c1-30-20-7-3-2-6-18(20)22(29)19-15-28(21-8-4-5-13-25-21)27-23(19)26-14-16-9-11-17(24)12-10-16/h2-13,15H,14H2,1H3,(H,26,27)
InChIKeyIXCZDEPCSYQGEL-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.26
Rot. Bonds7

About [3-[(4-fluorophenyl)methylamino]-1-pyridin-2-ylpyrazol-4-yl]-(2-methoxyphenyl)methanone

[3-[(4-fluorophenyl)methylamino]-1-pyridin-2-ylpyrazol-4-yl]-(2-methoxyphenyl)methanone (PubChem CID 142770563) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is [3-[(4-fluorophenyl)methylamino]-1-pyridin-2-ylpyrazol-4-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[3-[(4-fluorophenyl)methylamino]-1-pyridin-2-ylpyrazol-4-yl]-(2-methoxyphenyl)methanone
PubChem CID142770563
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC Name[3-[(4-fluorophenyl)methylamino]-1-pyridin-2-ylpyrazol-4-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)c1cn(-c2ccccn2)nc1NCc1ccc(F)cc1
InChIInChI=1S/C23H19FN4O2/c1-30-20-7-3-2-6-18(20)22(29)19-15-28(21-8-4-5-13-25-21)27-23(19)26-14-16-9-11-17(24)12-10-16/h2-13,15H,14H2,1H3,(H,26,27)
InChIKeyIXCZDEPCSYQGEL-UHFFFAOYSA-N
XLogP4.26
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-fluorophenyl)methylamino]-1-pyridin-2-ylpyrazol-4-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [3-[(4-fluorophenyl)methylamino]-1-pyridin-2-ylpyrazol-4-yl]-(2-methoxyphenyl)methanone (CID 142770563) is [3-[(4-fluorophenyl)methylamino]-1-pyridin-2-ylpyrazol-4-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [3-[(4-fluorophenyl)methylamino]-1-pyridin-2-ylpyrazol-4-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [3-[(4-fluorophenyl)methylamino]-1-pyridin-2-ylpyrazol-4-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)c1cn(-c2ccccn2)nc1NCc1ccc(F)cc1.
What is the InChIKey of [3-[(4-fluorophenyl)methylamino]-1-pyridin-2-ylpyrazol-4-yl]-(2-methoxyphenyl)methanone?
The InChIKey is IXCZDEPCSYQGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c1-30-20-7-3-2-6-18(20)22(29)19-15-28(21-8-4-5-13-25-21)27-23(19)26-14-16-9-11-17(24)12-10-16/h2-13,15H,14H2,1H3,(H,26,27).
What are the key properties of [3-[(4-fluorophenyl)methylamino]-1-pyridin-2-ylpyrazol-4-yl]-(2-methoxyphenyl)methanone?
[3-[(4-fluorophenyl)methylamino]-1-pyridin-2-ylpyrazol-4-yl]-(2-methoxyphenyl)methanone has a molecular weight of 402.43 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-fluorophenyl)methylamino]-1-pyridin-2-ylpyrazol-4-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 142770563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).