4-cyclopropyloxy-N-[6-(2-fluorophenyl)-3-pyridinyl]-3-[(2-pyrazol-1-ylacetyl)amino]benzamide

C26H22FN5O3 — CID 90461944

IUPAC4-cyclopropyloxy-N-[6-(2-fluorophenyl)-3-pyridinyl]-3-[(2-pyrazol-1-ylacetyl)amino]benzamide
SMILESO=C(Cn1cccn1)Nc1cc(C(=O)Nc2ccc(-c3ccccc3F)nc2)ccc1OC1CC1
InChIInChI=1S/C26H22FN5O3/c27-21-5-2-1-4-20(21)22-10-7-18(15-28-22)30-26(34)17-6-11-24(35-19-8-9-19)23(14-17)31-25(33)16-32-13-3-12-29-32/h1-7,10-15,19H,8-9,16H2,(H,30,34)(H,31,33)
InChIKeyFQLIWGPZAVDQMC-UHFFFAOYSA-N
MW471.49 g/mol
LogP4.52
Rot. Bonds8

About 4-cyclopropyloxy-N-[6-(2-fluorophenyl)-3-pyridinyl]-3-[(2-pyrazol-1-ylacetyl)amino]benzamide

4-cyclopropyloxy-N-[6-(2-fluorophenyl)-3-pyridinyl]-3-[(2-pyrazol-1-ylacetyl)amino]benzamide (PubChem CID 90461944) has the molecular formula C26H22FN5O3 and a molecular weight of 471.49 g/mol. Its IUPAC name is 4-cyclopropyloxy-N-[6-(2-fluorophenyl)-3-pyridinyl]-3-[(2-pyrazol-1-ylacetyl)amino]benzamide.

Molecular Properties

Compound Name4-cyclopropyloxy-N-[6-(2-fluorophenyl)-3-pyridinyl]-3-[(2-pyrazol-1-ylacetyl)amino]benzamide
PubChem CID90461944
Molecular FormulaC26H22FN5O3
Molecular Weight471.49 g/mol
Exact Mass471.17
IUPAC Name4-cyclopropyloxy-N-[6-(2-fluorophenyl)-3-pyridinyl]-3-[(2-pyrazol-1-ylacetyl)amino]benzamide
SMILESO=C(Cn1cccn1)Nc1cc(C(=O)Nc2ccc(-c3ccccc3F)nc2)ccc1OC1CC1
InChIInChI=1S/C26H22FN5O3/c27-21-5-2-1-4-20(21)22-10-7-18(15-28-22)30-26(34)17-6-11-24(35-19-8-9-19)23(14-17)31-25(33)16-32-13-3-12-29-32/h1-7,10-15,19H,8-9,16H2,(H,30,34)(H,31,33)
InChIKeyFQLIWGPZAVDQMC-UHFFFAOYSA-N
XLogP4.52
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.49
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyloxy-N-[6-(2-fluorophenyl)-3-pyridinyl]-3-[(2-pyrazol-1-ylacetyl)amino]benzamide?
The IUPAC name of 4-cyclopropyloxy-N-[6-(2-fluorophenyl)-3-pyridinyl]-3-[(2-pyrazol-1-ylacetyl)amino]benzamide (CID 90461944) is 4-cyclopropyloxy-N-[6-(2-fluorophenyl)-3-pyridinyl]-3-[(2-pyrazol-1-ylacetyl)amino]benzamide.
What is the SMILES notation for 4-cyclopropyloxy-N-[6-(2-fluorophenyl)-3-pyridinyl]-3-[(2-pyrazol-1-ylacetyl)amino]benzamide?
The canonical SMILES for 4-cyclopropyloxy-N-[6-(2-fluorophenyl)-3-pyridinyl]-3-[(2-pyrazol-1-ylacetyl)amino]benzamide is O=C(Cn1cccn1)Nc1cc(C(=O)Nc2ccc(-c3ccccc3F)nc2)ccc1OC1CC1.
What is the InChIKey of 4-cyclopropyloxy-N-[6-(2-fluorophenyl)-3-pyridinyl]-3-[(2-pyrazol-1-ylacetyl)amino]benzamide?
The InChIKey is FQLIWGPZAVDQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O3/c27-21-5-2-1-4-20(21)22-10-7-18(15-28-22)30-26(34)17-6-11-24(35-19-8-9-19)23(14-17)31-25(33)16-32-13-3-12-29-32/h1-7,10-15,19H,8-9,16H2,(H,30,34)(H,31,33).
What are the key properties of 4-cyclopropyloxy-N-[6-(2-fluorophenyl)-3-pyridinyl]-3-[(2-pyrazol-1-ylacetyl)amino]benzamide?
4-cyclopropyloxy-N-[6-(2-fluorophenyl)-3-pyridinyl]-3-[(2-pyrazol-1-ylacetyl)amino]benzamide has a molecular weight of 471.49 g/mol, XLogP of 4.52, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyloxy-N-[6-(2-fluorophenyl)-3-pyridinyl]-3-[(2-pyrazol-1-ylacetyl)amino]benzamide is sourced from PubChem (CID 90461944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).