(2-amino-3-pyridinyl)-[3-(1,1-difluoroethyl)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone

C23H23F2N5O — CID 24995039

IUPAC(2-amino-3-pyridinyl)-[3-(1,1-difluoroethyl)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone
SMILESCC(F)(F)c1ccc(N2CCNC(c3ccccc3)C2)nc1C(=O)c1cccnc1N
InChIInChI=1S/C23H23F2N5O/c1-23(24,25)17-9-10-19(29-20(17)21(31)16-8-5-11-28-22(16)26)30-13-12-27-18(14-30)15-6-3-2-4-7-15/h2-11,18,27H,12-14H2,1H3,(H2,26,28)
InChIKeyZQNDUNYTWMNDEL-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.55
Rot. Bonds5

About (2-amino-3-pyridinyl)-[3-(1,1-difluoroethyl)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone

(2-amino-3-pyridinyl)-[3-(1,1-difluoroethyl)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone (PubChem CID 24995039) has the molecular formula C23H23F2N5O and a molecular weight of 423.47 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-[3-(1,1-difluoroethyl)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-[3-(1,1-difluoroethyl)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone
PubChem CID24995039
Molecular FormulaC23H23F2N5O
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name(2-amino-3-pyridinyl)-[3-(1,1-difluoroethyl)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone
SMILESCC(F)(F)c1ccc(N2CCNC(c3ccccc3)C2)nc1C(=O)c1cccnc1N
InChIInChI=1S/C23H23F2N5O/c1-23(24,25)17-9-10-19(29-20(17)21(31)16-8-5-11-28-22(16)26)30-13-12-27-18(14-30)15-6-3-2-4-7-15/h2-11,18,27H,12-14H2,1H3,(H2,26,28)
InChIKeyZQNDUNYTWMNDEL-UHFFFAOYSA-N
XLogP3.55
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-[3-(1,1-difluoroethyl)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone?
The IUPAC name of (2-amino-3-pyridinyl)-[3-(1,1-difluoroethyl)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone (CID 24995039) is (2-amino-3-pyridinyl)-[3-(1,1-difluoroethyl)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone.
What is the SMILES notation for (2-amino-3-pyridinyl)-[3-(1,1-difluoroethyl)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone?
The canonical SMILES for (2-amino-3-pyridinyl)-[3-(1,1-difluoroethyl)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone is CC(F)(F)c1ccc(N2CCNC(c3ccccc3)C2)nc1C(=O)c1cccnc1N.
What is the InChIKey of (2-amino-3-pyridinyl)-[3-(1,1-difluoroethyl)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone?
The InChIKey is ZQNDUNYTWMNDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N5O/c1-23(24,25)17-9-10-19(29-20(17)21(31)16-8-5-11-28-22(16)26)30-13-12-27-18(14-30)15-6-3-2-4-7-15/h2-11,18,27H,12-14H2,1H3,(H2,26,28).
What are the key properties of (2-amino-3-pyridinyl)-[3-(1,1-difluoroethyl)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone?
(2-amino-3-pyridinyl)-[3-(1,1-difluoroethyl)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone has a molecular weight of 423.47 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-pyridinyl)-[3-(1,1-difluoroethyl)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 24995039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).