2-[5-chloro-2-[2-(3-fluorophenyl)ethylamino]-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide

C24H22ClFN6O — CID 67100721

IUPAC2-[5-chloro-2-[2-(3-fluorophenyl)ethylamino]-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide
SMILESCn1cc(-c2nc(NCCc3cccc(F)c3)c(C(C(N)=O)c3cccnc3)cc2Cl)cn1
InChIInChI=1S/C24H22ClFN6O/c1-32-14-17(13-30-32)22-20(25)11-19(21(23(27)33)16-5-3-8-28-12-16)24(31-22)29-9-7-15-4-2-6-18(26)10-15/h2-6,8,10-14,21H,7,9H2,1H3,(H2,27,33)(H,29,31)
InChIKeyZPKSJBMUXVXXJD-UHFFFAOYSA-N
MW464.93 g/mol
LogP3.94
Rot. Bonds8

About 2-[5-chloro-2-[2-(3-fluorophenyl)ethylamino]-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide

2-[5-chloro-2-[2-(3-fluorophenyl)ethylamino]-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide (PubChem CID 67100721) has the molecular formula C24H22ClFN6O and a molecular weight of 464.93 g/mol. Its IUPAC name is 2-[5-chloro-2-[2-(3-fluorophenyl)ethylamino]-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[5-chloro-2-[2-(3-fluorophenyl)ethylamino]-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide
PubChem CID67100721
Molecular FormulaC24H22ClFN6O
Molecular Weight464.93 g/mol
Exact Mass464.15
IUPAC Name2-[5-chloro-2-[2-(3-fluorophenyl)ethylamino]-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide
SMILESCn1cc(-c2nc(NCCc3cccc(F)c3)c(C(C(N)=O)c3cccnc3)cc2Cl)cn1
InChIInChI=1S/C24H22ClFN6O/c1-32-14-17(13-30-32)22-20(25)11-19(21(23(27)33)16-5-3-8-28-12-16)24(31-22)29-9-7-15-4-2-6-18(26)10-15/h2-6,8,10-14,21H,7,9H2,1H3,(H2,27,33)(H,29,31)
InChIKeyZPKSJBMUXVXXJD-UHFFFAOYSA-N
XLogP3.94
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.93
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-[2-(3-fluorophenyl)ethylamino]-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide?
The IUPAC name of 2-[5-chloro-2-[2-(3-fluorophenyl)ethylamino]-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide (CID 67100721) is 2-[5-chloro-2-[2-(3-fluorophenyl)ethylamino]-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[5-chloro-2-[2-(3-fluorophenyl)ethylamino]-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for 2-[5-chloro-2-[2-(3-fluorophenyl)ethylamino]-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide is Cn1cc(-c2nc(NCCc3cccc(F)c3)c(C(C(N)=O)c3cccnc3)cc2Cl)cn1.
What is the InChIKey of 2-[5-chloro-2-[2-(3-fluorophenyl)ethylamino]-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide?
The InChIKey is ZPKSJBMUXVXXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN6O/c1-32-14-17(13-30-32)22-20(25)11-19(21(23(27)33)16-5-3-8-28-12-16)24(31-22)29-9-7-15-4-2-6-18(26)10-15/h2-6,8,10-14,21H,7,9H2,1H3,(H2,27,33)(H,29,31).
What are the key properties of 2-[5-chloro-2-[2-(3-fluorophenyl)ethylamino]-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide?
2-[5-chloro-2-[2-(3-fluorophenyl)ethylamino]-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide has a molecular weight of 464.93 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-[2-(3-fluorophenyl)ethylamino]-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 67100721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).