5-[4-[3-(5-chloro-6-methoxy-2-pyridinyl)cyclopent-2-en-1-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide;ethane

C26H37ClFN5O2 — CID 176560669

IUPAC5-[4-[3-(5-chloro-6-methoxy-2-pyridinyl)cyclopent-2-en-1-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide;ethane
SMILESCC.CC.CNC(=O)c1ccc(N2CCN(C3C=C(c4ccc(Cl)c(OC)n4)CC3)CC2)c(F)n1
InChIInChI=1S/C22H25ClFN5O2.2C2H6/c1-25-21(30)18-7-8-19(20(24)26-18)29-11-9-28(10-12-29)15-4-3-14(13-15)17-6-5-16(23)22(27-17)31-2;2*1-2/h5-8,13,15H,3-4,9-12H2,1-2H3,(H,25,30);2*1-2H3
InChIKeyAJFGDRKDCRSFDY-UHFFFAOYSA-N
MW506.07 g/mol
LogP5.06
Rot. Bonds5

About 5-[4-[3-(5-chloro-6-methoxy-2-pyridinyl)cyclopent-2-en-1-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide;ethane

5-[4-[3-(5-chloro-6-methoxy-2-pyridinyl)cyclopent-2-en-1-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide;ethane (PubChem CID 176560669) has the molecular formula C26H37ClFN5O2 and a molecular weight of 506.07 g/mol. Its IUPAC name is 5-[4-[3-(5-chloro-6-methoxy-2-pyridinyl)cyclopent-2-en-1-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide;ethane.

Molecular Properties

Compound Name5-[4-[3-(5-chloro-6-methoxy-2-pyridinyl)cyclopent-2-en-1-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide;ethane
PubChem CID176560669
Molecular FormulaC26H37ClFN5O2
Molecular Weight506.07 g/mol
Exact Mass505.26
IUPAC Name5-[4-[3-(5-chloro-6-methoxy-2-pyridinyl)cyclopent-2-en-1-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide;ethane
SMILESCC.CC.CNC(=O)c1ccc(N2CCN(C3C=C(c4ccc(Cl)c(OC)n4)CC3)CC2)c(F)n1
InChIInChI=1S/C22H25ClFN5O2.2C2H6/c1-25-21(30)18-7-8-19(20(24)26-18)29-11-9-28(10-12-29)15-4-3-14(13-15)17-6-5-16(23)22(27-17)31-2;2*1-2/h5-8,13,15H,3-4,9-12H2,1-2H3,(H,25,30);2*1-2H3
InChIKeyAJFGDRKDCRSFDY-UHFFFAOYSA-N
XLogP5.06
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.07
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(5-chloro-6-methoxy-2-pyridinyl)cyclopent-2-en-1-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide;ethane?
The IUPAC name of 5-[4-[3-(5-chloro-6-methoxy-2-pyridinyl)cyclopent-2-en-1-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide;ethane (CID 176560669) is 5-[4-[3-(5-chloro-6-methoxy-2-pyridinyl)cyclopent-2-en-1-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide;ethane.
What is the SMILES notation for 5-[4-[3-(5-chloro-6-methoxy-2-pyridinyl)cyclopent-2-en-1-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide;ethane?
The canonical SMILES for 5-[4-[3-(5-chloro-6-methoxy-2-pyridinyl)cyclopent-2-en-1-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide;ethane is CC.CC.CNC(=O)c1ccc(N2CCN(C3C=C(c4ccc(Cl)c(OC)n4)CC3)CC2)c(F)n1.
What is the InChIKey of 5-[4-[3-(5-chloro-6-methoxy-2-pyridinyl)cyclopent-2-en-1-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide;ethane?
The InChIKey is AJFGDRKDCRSFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN5O2.2C2H6/c1-25-21(30)18-7-8-19(20(24)26-18)29-11-9-28(10-12-29)15-4-3-14(13-15)17-6-5-16(23)22(27-17)31-2;2*1-2/h5-8,13,15H,3-4,9-12H2,1-2H3,(H,25,30);2*1-2H3.
What are the key properties of 5-[4-[3-(5-chloro-6-methoxy-2-pyridinyl)cyclopent-2-en-1-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide;ethane?
5-[4-[3-(5-chloro-6-methoxy-2-pyridinyl)cyclopent-2-en-1-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide;ethane has a molecular weight of 506.07 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(5-chloro-6-methoxy-2-pyridinyl)cyclopent-2-en-1-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide;ethane is sourced from PubChem (CID 176560669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).