N-[2-[4-[5-acetyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]oxan-4-yl]acetamide

C26H28FN5O3 — CID 176877374

IUPACN-[2-[4-[5-acetyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]oxan-4-yl]acetamide
SMILESCC(=O)NC1CCOC(c2cc(-c3c(-c4ccc(F)cc4)nn4c3CN(C(C)=O)CC4)ccn2)C1
InChIInChI=1S/C26H28FN5O3/c1-16(33)29-21-8-12-35-24(14-21)22-13-19(7-9-28-22)25-23-15-31(17(2)34)10-11-32(23)30-26(25)18-3-5-20(27)6-4-18/h3-7,9,13,21,24H,8,10-12,14-15H2,1-2H3,(H,29,33)
InChIKeyQZSKQXJCAZHPHT-UHFFFAOYSA-N
MW477.54 g/mol
LogP3.47
Rot. Bonds4

About N-[2-[4-[5-acetyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]oxan-4-yl]acetamide

N-[2-[4-[5-acetyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]oxan-4-yl]acetamide (PubChem CID 176877374) has the molecular formula C26H28FN5O3 and a molecular weight of 477.54 g/mol. Its IUPAC name is N-[2-[4-[5-acetyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]oxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[5-acetyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]oxan-4-yl]acetamide
PubChem CID176877374
Molecular FormulaC26H28FN5O3
Molecular Weight477.54 g/mol
Exact Mass477.22
IUPAC NameN-[2-[4-[5-acetyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]oxan-4-yl]acetamide
SMILESCC(=O)NC1CCOC(c2cc(-c3c(-c4ccc(F)cc4)nn4c3CN(C(C)=O)CC4)ccn2)C1
InChIInChI=1S/C26H28FN5O3/c1-16(33)29-21-8-12-35-24(14-21)22-13-19(7-9-28-22)25-23-15-31(17(2)34)10-11-32(23)30-26(25)18-3-5-20(27)6-4-18/h3-7,9,13,21,24H,8,10-12,14-15H2,1-2H3,(H,29,33)
InChIKeyQZSKQXJCAZHPHT-UHFFFAOYSA-N
XLogP3.47
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[5-acetyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]oxan-4-yl]acetamide?
The IUPAC name of N-[2-[4-[5-acetyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]oxan-4-yl]acetamide (CID 176877374) is N-[2-[4-[5-acetyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]oxan-4-yl]acetamide.
What is the SMILES notation for N-[2-[4-[5-acetyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]oxan-4-yl]acetamide?
The canonical SMILES for N-[2-[4-[5-acetyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]oxan-4-yl]acetamide is CC(=O)NC1CCOC(c2cc(-c3c(-c4ccc(F)cc4)nn4c3CN(C(C)=O)CC4)ccn2)C1.
What is the InChIKey of N-[2-[4-[5-acetyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]oxan-4-yl]acetamide?
The InChIKey is QZSKQXJCAZHPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O3/c1-16(33)29-21-8-12-35-24(14-21)22-13-19(7-9-28-22)25-23-15-31(17(2)34)10-11-32(23)30-26(25)18-3-5-20(27)6-4-18/h3-7,9,13,21,24H,8,10-12,14-15H2,1-2H3,(H,29,33).
What are the key properties of N-[2-[4-[5-acetyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]oxan-4-yl]acetamide?
N-[2-[4-[5-acetyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]oxan-4-yl]acetamide has a molecular weight of 477.54 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[5-acetyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]oxan-4-yl]acetamide is sourced from PubChem (CID 176877374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).