[4-[2-[4-(2H-azirin-3-yl)phenyl]ethyl]piperazin-1-yl]-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanone

C32H29FN4O2 — CID 123174340

IUPAC[4-[2-[4-(2H-azirin-3-yl)phenyl]ethyl]piperazin-1-yl]-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanone
SMILESO=C(c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)N1CCN(CCc2ccc(C3=NC3)cc2)CC1
InChIInChI=1S/C32H29FN4O2/c33-26-10-14-28(15-11-26)39-27-12-8-24(9-13-27)29-2-1-3-30(35-29)32(38)37-20-18-36(19-21-37)17-16-23-4-6-25(7-5-23)31-22-34-31/h1-15H,16-22H2
InChIKeyHNXUSMJBWBKPDC-UHFFFAOYSA-N
MW520.61 g/mol
LogP5.48
Rot. Bonds8

About [4-[2-[4-(2H-azirin-3-yl)phenyl]ethyl]piperazin-1-yl]-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanone

[4-[2-[4-(2H-azirin-3-yl)phenyl]ethyl]piperazin-1-yl]-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanone (PubChem CID 123174340) has the molecular formula C32H29FN4O2 and a molecular weight of 520.61 g/mol. Its IUPAC name is [4-[2-[4-(2H-azirin-3-yl)phenyl]ethyl]piperazin-1-yl]-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanone.

Molecular Properties

Compound Name[4-[2-[4-(2H-azirin-3-yl)phenyl]ethyl]piperazin-1-yl]-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanone
PubChem CID123174340
Molecular FormulaC32H29FN4O2
Molecular Weight520.61 g/mol
Exact Mass520.23
IUPAC Name[4-[2-[4-(2H-azirin-3-yl)phenyl]ethyl]piperazin-1-yl]-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanone
SMILESO=C(c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)N1CCN(CCc2ccc(C3=NC3)cc2)CC1
InChIInChI=1S/C32H29FN4O2/c33-26-10-14-28(15-11-26)39-27-12-8-24(9-13-27)29-2-1-3-30(35-29)32(38)37-20-18-36(19-21-37)17-16-23-4-6-25(7-5-23)31-22-34-31/h1-15H,16-22H2
InChIKeyHNXUSMJBWBKPDC-UHFFFAOYSA-N
XLogP5.48
TPSA58.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.61
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Pyridine amide, 29
CID 44237004
N-[(4-ethoxyphenyl)methyl]-N-methylquinoline-2-carboxamide
CID 2530477
6-[4-(4-Fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 9836230
6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 10273574
6-[4-(4-Fluorophenoxy)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 10340527
6-[4-(4-Fluorophenoxy)phenyl]-4-methoxypyridine-2-carboxamide
CID 11221428
6-[4-(4-Fluorophenoxy)phenyl]-N-[2-(1-piperidinyl)ethyl]-2-pyridinecarboxamide
CID 11247128
N-[2-(dimethylamino)ethyl]-6-[4-(4-fluorophenoxy)phenyl]-4-methoxypyridine-2-carboxamide
CID 11475352
N-(2-{2-[4-(4-acetyl-phenoxy)-phenyl]-5-phenyl-pyrrol-1-yl}-acetyl)-guanidine
CID 11496159

Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-(2H-azirin-3-yl)phenyl]ethyl]piperazin-1-yl]-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanone?
The IUPAC name of [4-[2-[4-(2H-azirin-3-yl)phenyl]ethyl]piperazin-1-yl]-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanone (CID 123174340) is [4-[2-[4-(2H-azirin-3-yl)phenyl]ethyl]piperazin-1-yl]-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanone.
What is the SMILES notation for [4-[2-[4-(2H-azirin-3-yl)phenyl]ethyl]piperazin-1-yl]-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanone?
The canonical SMILES for [4-[2-[4-(2H-azirin-3-yl)phenyl]ethyl]piperazin-1-yl]-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanone is O=C(c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)N1CCN(CCc2ccc(C3=NC3)cc2)CC1.
What is the InChIKey of [4-[2-[4-(2H-azirin-3-yl)phenyl]ethyl]piperazin-1-yl]-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanone?
The InChIKey is HNXUSMJBWBKPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29FN4O2/c33-26-10-14-28(15-11-26)39-27-12-8-24(9-13-27)29-2-1-3-30(35-29)32(38)37-20-18-36(19-21-37)17-16-23-4-6-25(7-5-23)31-22-34-31/h1-15H,16-22H2.
What are the key properties of [4-[2-[4-(2H-azirin-3-yl)phenyl]ethyl]piperazin-1-yl]-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanone?
[4-[2-[4-(2H-azirin-3-yl)phenyl]ethyl]piperazin-1-yl]-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanone has a molecular weight of 520.61 g/mol, XLogP of 5.48, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-(2H-azirin-3-yl)phenyl]ethyl]piperazin-1-yl]-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanone is sourced from PubChem (CID 123174340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).